# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1980085'
loop_
_audit_author_name
_audit_author_address
'SHANMUGAM MAHESWARAN'
;Indian Institute of Technology Bombay
India
;
_audit_update_record             
;
2020-07-10 deposited with the CCDC.	2020-07-13 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         'C38 H40 Dy N2 O14 Zn2, 0.916(N O3), 0.084(Br)'
_chemical_formula_sum            'C38 H40 Br0.08 Dy N2.92 O16.75 Zn2'
_chemical_formula_weight         1105.49

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'
Dy Dy -0.1892 4.4098 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 2/a'
_space_group_name_Hall           '-I 2ya'

_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'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   15.7095(4)
_cell_length_b                   27.2107(9)
_cell_length_c                   20.1686(5)
_cell_angle_alpha                90
_cell_angle_beta                 99.605(2)
_cell_angle_gamma                90
_cell_volume                     8500.5(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    13201
_cell_measurement_theta_min      2.1400
_cell_measurement_theta_max      31.1100

_exptl_crystal_description       Needle
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_F_000             4411
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    3.014
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.64054
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   'CrysalisPro (Rigaku OD 2015)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   MicroMax003_Mo
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24797
_diffrn_reflns_av_unetI/netI     0.0643
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.137
_diffrn_reflns_theta_max         31.027
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.854
_diffrn_measured_fraction_theta_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.854
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.854
_diffrn_reflns_point_group_measured_fraction_full 0.976
_reflns_number_total             11590
_reflns_number_gt                9384
_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       
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_molecular_graphics    'Bruker SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'Bruker SHELXTL (Sheldrick, 2008)'
_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)+(0.0838P)²+20.3198P] 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         11590
_refine_ls_number_parameters     639
_refine_ls_number_restraints     238
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0497
_refine_ls_wR_factor_ref         0.1461
_refine_ls_wR_factor_gt          0.1318
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.010
_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 0.32588(2) 0.43853(2) 0.20077(2) 0.01667(8) Uani 1 1 d . . . . .
Zn1 Zn 0.29184(3) 0.57027(2) 0.18969(2) 0.01927(12) Uani 1 1 d . . . . .
Zn2 Zn 0.34279(3) 0.30546(2) 0.20554(2) 0.01998(12) Uani 1 1 d . . . . .
O11 O 0.36065(18) 0.51730(12) 0.24523(14) 0.0203(6) Uani 1 1 d . . . . .
O12 O 0.46058(19) 0.44562(13) 0.29067(15) 0.0229(7) Uani 1 1 d . . . . .
O13 O 0.2659(2) 0.65406(14) 0.15383(16) 0.0308(8) Uani 1 1 d . . . . .
O31 O 0.32690(19) 0.36522(12) 0.26198(13) 0.0198(6) Uani 1 1 d . . . . .
O32 O 0.2741(2) 0.44418(12) 0.31263(15) 0.0220(7) Uani 1 1 d . . . . .
O33 O 0.3402(2) 0.22479(14) 0.16993(17) 0.0304(8) Uani 1 1 d . . . . .
O51 O 0.19185(19) 0.47238(14) 0.18317(17) 0.0285(7) Uani 1 1 d . . . . .
O52 O 0.1691(2) 0.55222(13) 0.16548(17) 0.0262(7) Uani 1 1 d . . . . .
O61 O 0.3351(2) 0.48596(13) 0.10698(15) 0.0263(7) Uani 1 1 d . . . . .
O62 O 0.3396(2) 0.56753(12) 0.10632(16) 0.0253(7) Uani 1 1 d . . . . .
O71 O 0.2523(2) 0.38617(14) 0.12291(16) 0.0300(8) Uani 1 1 d . . . . .
O72 O 0.2340(2) 0.30635(13) 0.13916(16) 0.0276(7) Uani 1 1 d . . . . .
O81 O 0.4354(2) 0.39917(13) 0.16194(16) 0.0258(7) Uani 1 1 d . . . . .
O82 O 0.4306(2) 0.31823(13) 0.14859(16) 0.0258(7) Uani 1 1 d . . . . .
N11 N 0.2954(2) 0.61333(15) 0.27155(18) 0.0214(7) Uani 1 1 d . . . . .
N31 N 0.3920(2) 0.26497(15) 0.28847(18) 0.0231(8) Uani 1 1 d . . . . .
C11 C 0.4081(3) 0.52456(17) 0.30620(19) 0.0180(8) Uani 1 1 d . . . . .
C12 C 0.4656(3) 0.48585(17) 0.3323(2) 0.0191(8) Uani 1 1 d . . . . .
C13 C 0.5197(3) 0.49077(19) 0.3929(2) 0.0255(10) Uani 1 1 d . . . . .
H13A H 0.558848 0.465130 0.408908 0.031 Uiso 1 1 calc R U . . .
C14 C 0.5173(3) 0.5332(2) 0.4307(2) 0.0301(11) Uani 1 1 d . . . . .
H14A H 0.555305 0.536679 0.472329 0.036 Uiso 1 1 calc R U . . .
C15 C 0.4606(3) 0.5700(2) 0.4086(2) 0.0294(11) Uani 1 1 d . . . . .
H15A H 0.458519 0.598360 0.435722 0.035 Uiso 1 1 calc R U . . .
C16 C 0.4047(3) 0.56671(18) 0.3459(2) 0.0226(9) Uani 1 1 d . . . . .
C17 C 0.3464(3) 0.60749(18) 0.3279(2) 0.0225(9) Uani 1 1 d . . . . .
H17A H 0.345716 0.632343 0.360920 0.027 Uiso 1 1 calc R U . . .
C18 C 0.2379(3) 0.65442(19) 0.2633(2) 0.0244(9) Uani 1 1 d . . . . .
C19 C 0.1943(3) 0.6714(2) 0.3129(2) 0.0296(11) Uani 1 1 d . . . . .
H19A H 0.202695 0.656176 0.355890 0.036 Uiso 1 1 calc R U . . .
C20 C 0.1376(3) 0.7113(2) 0.2994(3) 0.0351(12) Uani 1 1 d . . . . .
H20A H 0.107498 0.723110 0.333311 0.042 Uiso 1 1 calc R U . . .
C21 C 0.1256(3) 0.7333(2) 0.2375(3) 0.0355(12) Uani 1 1 d . . . . .
H21A H 0.088268 0.760883 0.229210 0.043 Uiso 1 1 calc R U . . .
C22 C 0.1676(3) 0.7157(2) 0.1864(3) 0.0342(12) Uani 1 1 d . . . . .
H22A H 0.158612 0.730854 0.143413 0.041 Uiso 1 1 calc R U . . .
C23 C 0.2221(3) 0.67591(19) 0.1994(2) 0.0257(10) Uani 1 1 d . . . . .
C24 C 0.2604(4) 0.6760(2) 0.0892(2) 0.0377(13) Uani 1 1 d . . . . .
H24A H 0.283931 0.709353 0.093964 0.057 Uiso 1 1 calc R U . . .
H24B H 0.199833 0.677244 0.067286 0.057 Uiso 1 1 calc R U . . .
H24C H 0.293584 0.656332 0.061691 0.057 Uiso 1 1 calc R U . . .
C25 C 0.5251(3) 0.4077(2) 0.3097(3) 0.0299(11) Uani 1 1 d . . . . .
H25A H 0.582718 0.421368 0.308958 0.045 Uiso 1 1 calc R U . . .
H25B H 0.514623 0.380334 0.277831 0.045 Uiso 1 1 calc R U . . .
H25C H 0.521639 0.395949 0.355053 0.045 Uiso 1 1 calc R U . . .
C31 C 0.3332(3) 0.36577(17) 0.3289(2) 0.0194(8) Uani 1 1 d . . . . .
C32 C 0.3065(3) 0.40864(17) 0.3587(2) 0.0199(8) Uani 1 1 d . . . . .
C33 C 0.3144(3) 0.4139(2) 0.4274(2) 0.0271(10) Uani 1 1 d . . . . .
H33A H 0.295317 0.443057 0.446219 0.032 Uiso 1 1 calc R U . . .
C34 C 0.3509(3) 0.37554(19) 0.4691(2) 0.0286(10) Uani 1 1 d . . . . .
H34A H 0.358094 0.379110 0.516532 0.034 Uiso 1 1 calc R U . . .
C35 C 0.3758(3) 0.3336(2) 0.4422(2) 0.0287(10) Uani 1 1 d . . . . .
H35A H 0.399580 0.307841 0.471335 0.034 Uiso 1 1 calc R U . . .
C36 C 0.3673(3) 0.32687(19) 0.3711(2) 0.0238(9) Uani 1 1 d . . . . .
C37 C 0.3934(3) 0.27991(18) 0.3496(2) 0.0244(9) Uani 1 1 d . . . . .
H37A H 0.414068 0.257058 0.384122 0.029 Uiso 1 1 calc R U . . .
C38 C 0.4207(3) 0.21680(19) 0.2780(2) 0.0252(9) Uani 1 1 d . . . . .
C39 C 0.4767(3) 0.1900(2) 0.3259(3) 0.0350(12) Uani 1 1 d . . . . .
H39A H 0.500178 0.204854 0.367563 0.042 Uiso 1 1 calc R U . . .
C40 C 0.4982(4) 0.1419(2) 0.3130(3) 0.0435(15) Uani 1 1 d . . . . .
H40A H 0.535015 0.123656 0.346278 0.052 Uiso 1 1 calc R U . . .
C41 C 0.4662(5) 0.1207(2) 0.2521(4) 0.0525(18) Uani 1 1 d . . . . .
H41A H 0.479622 0.087442 0.243974 0.063 Uiso 1 1 calc R U . . .
C42 C 0.4143(4) 0.1475(2) 0.2025(3) 0.0417(14) Uani 1 1 d . . . . .
H42A H 0.394055 0.133124 0.159866 0.050 Uiso 1 1 calc R U . . .
C43 C 0.3921(3) 0.19561(19) 0.2155(3) 0.0293(11) Uani 1 1 d . . . . .
C44 C 0.3376(4) 0.2143(2) 0.1000(2) 0.0392(13) Uani 1 1 d . . . . .
H44A H 0.307730 0.183020 0.088830 0.059 Uiso 1 1 calc R U . . .
H44B H 0.396577 0.212112 0.090394 0.059 Uiso 1 1 calc R U . . .
H44C H 0.306557 0.240657 0.072919 0.059 Uiso 1 1 calc R U . . .
C45 C 0.2256(3) 0.4835(2) 0.3374(2) 0.0314(11) Uani 1 1 d . . . . .
H45A H 0.174732 0.469738 0.353027 0.047 Uiso 1 1 calc R U . . .
H45B H 0.207036 0.507055 0.301139 0.047 Uiso 1 1 calc R U . . .
H45C H 0.262074 0.500191 0.374802 0.047 Uiso 1 1 calc R U . . .
C51 C 0.1437(2) 0.50822(18) 0.1668(2) 0.0211(9) Uani 1 1 d . . . . .
C52 C 0.0481(3) 0.4979(2) 0.1477(3) 0.0304(11) Uani 1 1 d . . . . .
H52A H 0.039728 0.466657 0.123242 0.046 Uiso 1 1 calc R U . . .
H52B H 0.020650 0.524443 0.118953 0.046 Uiso 1 1 calc R U . . .
H52C H 0.021982 0.495849 0.188457 0.046 Uiso 1 1 calc R U . . .
C61 C 0.3463(2) 0.52565(18) 0.0792(2) 0.0201(9) Uani 1 1 d . . . . .
C62 C 0.3693(3) 0.5255(2) 0.0100(2) 0.0329(12) Uani 1 1 d . . . . .
H62A H 0.348953 0.494890 -0.013051 0.049 Uiso 1 1 calc R U . . .
H62B H 0.432155 0.527810 0.013267 0.049 Uiso 1 1 calc R U . . .
H62C H 0.341970 0.553556 -0.015549 0.049 Uiso 1 1 calc R U . . .
C71 C 0.2156(3) 0.3463(2) 0.1077(2) 0.0246(10) Uani 1 1 d . . . . .
C72 C 0.1463(3) 0.3452(3) 0.0453(3) 0.0439(15) Uani 1 1 d . . . . .
H72A H 0.164522 0.365608 0.010120 0.066 Uiso 1 1 calc R U . . .
H72B H 0.092130 0.358050 0.056400 0.066 Uiso 1 1 calc R U . . .
H72C H 0.137696 0.311328 0.029187 0.066 Uiso 1 1 calc R U . . .
C81 C 0.4576(2) 0.36027(18) 0.13585(19) 0.0183(8) Uani 1 1 d . . . . .
C82 C 0.5212(3) 0.36396(19) 0.0882(2) 0.0246(10) Uani 1 1 d . . . . .
H82A H 0.499878 0.387407 0.052395 0.037 Uiso 1 1 calc R U . . .
H82B H 0.528315 0.331617 0.068480 0.037 Uiso 1 1 calc R U . . .
H82C H 0.576931 0.375266 0.112668 0.037 Uiso 1 1 calc R U . . .
N1 N 0.2488(15) 0.5620(3) 0.5002(11) 0.0305(14) Uani 0.397(3) 1 d D U P A -1
O1 O 0.2141(7) 0.5853(5) 0.4475(7) 0.0290(19) Uani 0.397(3) 1 d D U P A -1
O2 O 0.2747(6) 0.5186(3) 0.5018(5) 0.0384(18) Uani 0.397(3) 1 d D U P A -1
O3 O 0.2602(8) 0.5858(5) 0.5560(7) 0.0286(19) Uani 0.397(3) 1 d D U P A -1
N1A N 0.0913(8) 0.7209(5) 0.4992(5) 0.0258(12) Uani 0.318(3) 1 d D U P B 2
O1A O 0.0301(6) 0.7504(4) 0.5032(5) 0.0260(13) Uani 0.318(3) 1 d D U P B 2
O2A O 0.1296(7) 0.7006(4) 0.5542(4) 0.0275(13) Uani 0.318(3) 1 d D U P B 2
O3A O 0.1001(7) 0.6999(4) 0.4482(4) 0.0331(14) Uani 0.318(3) 1 d D U P B 2
N1B N 0.0939(11) 0.7218(7) 0.5115(7) 0.0263(12) Uani 0.201(3) 1 d D U P C 3
O1B O 0.0552(9) 0.6961(6) 0.5544(6) 0.0265(14) Uani 0.201(3) 1 d D U P C 3
O2B O 0.0527(10) 0.7525(6) 0.4774(7) 0.0265(15) Uani 0.201(3) 1 d D U P C 3
O3B O 0.1744(8) 0.7231(6) 0.5347(7) 0.0277(15) Uani 0.201(3) 1 d D U P C 3
Br1 Br 0.250000 0.6661(2) 0.500000 0.0487(18) Uani 0.169(3) 2 d S T P D 4


_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 O51 2.271(3) . ?
Dy1 O81 2.274(3) . ?
Dy1 O71 2.286(3) . ?
Dy1 O61 2.314(3) . ?
Dy1 O31 2.345(3) . ?
Dy1 O11 2.352(3) . ?
Dy1 O32 2.527(3) . ?
Dy1 O12 2.554(3) . ?
Zn1 O62 1.954(3) . ?
Zn1 O52 1.970(3) . ?
Zn1 N11 2.018(4) . ?
Zn1 O11 2.024(3) . ?
Zn1 O13 2.406(4) . ?
Zn2 O82 1.968(3) . ?
Zn2 O72 1.988(3) . ?
Zn2 O31 2.024(3) . ?
Zn2 N31 2.044(4) . ?
Zn2 O33 2.308(4) . ?
O11 C11 1.342(5) . ?
O12 C12 1.374(5) . ?
O12 C25 1.452(5) . ?
O13 C23 1.372(5) . ?
O13 C24 1.424(6) . ?
O31 C31 1.338(5) . ?
O32 C32 1.378(5) . ?
O32 C45 1.450(5) . ?
O33 C43 1.374(6) . ?
O33 C44 1.433(6) . ?
O51 C51 1.245(5) . ?
O52 C51 1.264(6) . ?
O61 C61 1.243(6) . ?
O62 C61 1.276(6) . ?
O71 C71 1.242(6) . ?
O72 C71 1.268(6) . ?
O81 C81 1.257(5) . ?
O82 C81 1.261(6) . ?
N11 C17 1.287(5) . ?
N11 C18 1.430(6) . ?
N31 C37 1.294(6) . ?
N31 C38 1.414(6) . ?
C11 C16 1.404(6) . ?
C11 C12 1.430(6) . ?
C12 C13 1.374(6) . ?
C13 C14 1.388(7) . ?
C13 H13A 0.9500 . ?
C14 C15 1.364(8) . ?
C14 H14A 0.9500 . ?
C15 C16 1.417(6) . ?
C15 H15A 0.9500 . ?
C16 C17 1.445(7) . ?
C17 H17A 0.9500 . ?
C18 C19 1.383(6) . ?
C18 C23 1.399(6) . ?
C19 C20 1.401(8) . ?
C19 H19A 0.9500 . ?
C20 C21 1.369(8) . ?
C20 H20A 0.9500 . ?
C21 C22 1.398(8) . ?
C21 H21A 0.9500 . ?
C22 C23 1.378(7) . ?
C22 H22A 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C31 C36 1.406(6) . ?
C31 C32 1.407(6) . ?
C32 C33 1.378(6) . ?
C33 C34 1.401(7) . ?
C33 H33A 0.9500 . ?
C34 C35 1.349(7) . ?
C34 H34A 0.9500 . ?
C35 C36 1.431(6) . ?
C35 H35A 0.9500 . ?
C36 C37 1.431(7) . ?
C37 H37A 0.9500 . ?
C38 C43 1.391(7) . ?
C38 C39 1.398(7) . ?
C39 C40 1.387(8) . ?
C39 H39A 0.9500 . ?
C40 C41 1.374(10) . ?
C40 H40A 0.9500 . ?
C41 C42 1.389(9) . ?
C41 H41A 0.9500 . ?
C42 C43 1.390(8) . ?
C42 H42A 0.9500 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C51 C52 1.513(5) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C61 C62 1.500(6) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C71 C72 1.521(6) . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C81 C82 1.501(5) . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
N1 O2 1.247(11) . ?
N1 O1 1.279(16) . ?
N1 O3 1.287(16) . ?
N1A O3A 1.205(12) . ?
N1A O1A 1.266(13) . ?
N1A O2A 1.293(12) . ?
N1B O2B 1.200(15) . ?
N1B O3B 1.274(16) . ?
N1B O1B 1.336(16) . ?

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
O51 Dy1 O81 150.72(12) . . ?
O51 Dy1 O71 78.24(13) . . ?
O81 Dy1 O71 78.15(12) . . ?
O51 Dy1 O61 80.14(12) . . ?
O81 Dy1 O61 80.05(12) . . ?
O71 Dy1 O61 83.07(12) . . ?
O51 Dy1 O31 110.61(11) . . ?
O81 Dy1 O31 80.88(11) . . ?
O71 Dy1 O31 77.86(11) . . ?
O61 Dy1 O31 155.36(11) . . ?
O51 Dy1 O11 80.81(11) . . ?
O81 Dy1 O11 114.80(11) . . ?
O71 Dy1 O11 152.68(11) . . ?
O61 Dy1 O11 76.19(11) . . ?
O31 Dy1 O11 126.43(10) . . ?
O51 Dy1 O32 71.75(11) . . ?
O81 Dy1 O32 135.30(11) . . ?
O71 Dy1 O32 116.75(12) . . ?
O61 Dy1 O32 140.26(11) . . ?
O31 Dy1 O32 63.68(10) . . ?
O11 Dy1 O32 72.13(10) . . ?
O51 Dy1 O12 135.81(11) . . ?
O81 Dy1 O12 72.25(11) . . ?
O71 Dy1 O12 143.01(12) . . ?
O61 Dy1 O12 112.40(11) . . ?
O31 Dy1 O12 76.02(10) . . ?
O11 Dy1 O12 63.15(10) . . ?
O32 Dy1 O12 73.35(10) . . ?
O62 Zn1 O52 106.12(14) . . ?
O62 Zn1 N11 139.84(15) . . ?
O52 Zn1 N11 103.89(14) . . ?
O62 Zn1 O11 101.69(13) . . ?
O52 Zn1 O11 111.70(13) . . ?
N11 Zn1 O11 91.22(14) . . ?
O62 Zn1 O13 81.24(13) . . ?
O52 Zn1 O13 92.98(13) . . ?
N11 Zn1 O13 71.09(14) . . ?
O11 Zn1 O13 152.78(13) . . ?
O82 Zn2 O72 102.27(13) . . ?
O82 Zn2 O31 110.53(13) . . ?
O72 Zn2 O31 101.31(13) . . ?
O82 Zn2 N31 111.52(14) . . ?
O72 Zn2 N31 136.31(15) . . ?
O31 Zn2 N31 92.19(14) . . ?
O82 Zn2 O33 87.92(13) . . ?
O72 Zn2 O33 80.43(14) . . ?
O31 Zn2 O33 160.35(12) . . ?
N31 Zn2 O33 74.13(14) . . ?
C11 O11 Zn1 124.5(3) . . ?
C11 O11 Dy1 122.8(3) . . ?
Zn1 O11 Dy1 111.67(12) . . ?
C12 O12 C25 116.0(3) . . ?
C12 O12 Dy1 116.8(2) . . ?
C25 O12 Dy1 126.4(3) . . ?
C23 O13 C24 118.2(4) . . ?
C23 O13 Zn1 106.7(3) . . ?
C24 O13 Zn1 130.8(3) . . ?
C31 O31 Zn2 125.5(3) . . ?
C31 O31 Dy1 121.0(3) . . ?
Zn2 O31 Dy1 112.22(12) . . ?
C32 O32 C45 116.2(3) . . ?
C32 O32 Dy1 114.9(2) . . ?
C45 O32 Dy1 128.2(3) . . ?
C43 O33 C44 117.4(4) . . ?
C43 O33 Zn2 111.3(3) . . ?
C44 O33 Zn2 119.4(3) . . ?
C51 O51 Dy1 150.0(3) . . ?
C51 O52 Zn1 122.1(3) . . ?
C61 O61 Dy1 152.4(3) . . ?
C61 O62 Zn1 118.3(3) . . ?
C71 O71 Dy1 150.9(3) . . ?
C71 O72 Zn2 116.5(3) . . ?
C81 O81 Dy1 145.0(3) . . ?
C81 O82 Zn2 124.8(3) . . ?
C17 N11 C18 119.2(4) . . ?
C17 N11 Zn1 125.4(3) . . ?
C18 N11 Zn1 115.4(3) . . ?
C37 N31 C38 118.6(4) . . ?
C37 N31 Zn2 123.6(3) . . ?
C38 N31 Zn2 117.7(3) . . ?
O11 C11 C16 125.0(4) . . ?
O11 C11 C12 116.7(4) . . ?
C16 C11 C12 118.3(4) . . ?
C13 C12 O12 125.8(4) . . ?
C13 C12 C11 121.0(4) . . ?
O12 C12 C11 113.2(3) . . ?
C12 C13 C14 120.0(4) . . ?
C12 C13 H13A 120.0 . . ?
C14 C13 H13A 120.0 . . ?
C15 C14 C13 120.4(4) . . ?
C15 C14 H14A 119.8 . . ?
C13 C14 H14A 119.8 . . ?
C14 C15 C16 121.3(5) . . ?
C14 C15 H15A 119.4 . . ?
C16 C15 H15A 119.4 . . ?
C11 C16 C15 118.9(4) . . ?
C11 C16 C17 124.6(4) . . ?
C15 C16 C17 116.5(4) . . ?
N11 C17 C16 126.2(4) . . ?
N11 C17 H17A 116.9 . . ?
C16 C17 H17A 116.9 . . ?
C19 C18 C23 119.6(5) . . ?
C19 C18 N11 123.9(4) . . ?
C23 C18 N11 116.4(4) . . ?
C18 C19 C20 119.6(5) . . ?
C18 C19 H19A 120.2 . . ?
C20 C19 H19A 120.2 . . ?
C21 C20 C19 120.2(5) . . ?
C21 C20 H20A 119.9 . . ?
C19 C20 H20A 119.9 . . ?
C20 C21 C22 120.8(5) . . ?
C20 C21 H21A 119.6 . . ?
C22 C21 H21A 119.6 . . ?
C23 C22 C21 119.0(5) . . ?
C23 C22 H22A 120.5 . . ?
C21 C22 H22A 120.5 . . ?
O13 C23 C22 125.3(4) . . ?
O13 C23 C18 113.9(4) . . ?
C22 C23 C18 120.8(4) . . ?
O13 C24 H24A 109.5 . . ?
O13 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O13 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O12 C25 H25A 109.5 . . ?
O12 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O12 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O31 C31 C36 124.0(4) . . ?
O31 C31 C32 117.5(4) . . ?
C36 C31 C32 118.5(4) . . ?
O32 C32 C33 124.5(4) . . ?
O32 C32 C31 113.4(3) . . ?
C33 C32 C31 122.1(4) . . ?
C32 C33 C34 119.1(5) . . ?
C32 C33 H33A 120.5 . . ?
C34 C33 H33A 120.5 . . ?
C35 C34 C33 120.4(4) . . ?
C35 C34 H34A 119.8 . . ?
C33 C34 H34A 119.8 . . ?
C34 C35 C36 121.7(5) . . ?
C34 C35 H35A 119.1 . . ?
C36 C35 H35A 119.1 . . ?
C31 C36 C35 118.2(5) . . ?
C31 C36 C37 126.0(4) . . ?
C35 C36 C37 115.8(4) . . ?
N31 C37 C36 127.5(4) . . ?
N31 C37 H37A 116.2 . . ?
C36 C37 H37A 116.2 . . ?
C43 C38 C39 118.8(5) . . ?
C43 C38 N31 117.2(4) . . ?
C39 C38 N31 124.1(5) . . ?
C40 C39 C38 120.5(6) . . ?
C40 C39 H39A 119.8 . . ?
C38 C39 H39A 119.8 . . ?
C41 C40 C39 120.0(6) . . ?
C41 C40 H40A 120.0 . . ?
C39 C40 H40A 120.0 . . ?
C40 C41 C42 120.4(6) . . ?
C40 C41 H41A 119.8 . . ?
C42 C41 H41A 119.8 . . ?
C41 C42 C43 119.6(6) . . ?
C41 C42 H42A 120.2 . . ?
C43 C42 H42A 120.2 . . ?
O33 C43 C42 123.9(5) . . ?
O33 C43 C38 115.6(4) . . ?
C42 C43 C38 120.5(5) . . ?
O33 C44 H44A 109.5 . . ?
O33 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O33 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O32 C45 H45A 109.5 . . ?
O32 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O32 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O51 C51 O52 124.6(4) . . ?
O51 C51 C52 117.1(4) . . ?
O52 C51 C52 118.3(4) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O61 C61 O62 123.7(4) . . ?
O61 C61 C62 119.4(5) . . ?
O62 C61 C62 116.9(4) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
O71 C71 O72 124.6(4) . . ?
O71 C71 C72 117.4(5) . . ?
O72 C71 C72 118.0(5) . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
O81 C81 O82 123.5(4) . . ?
O81 C81 C82 118.2(4) . . ?
O82 C81 C82 118.3(4) . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
O2 N1 O1 125.7(16) . . ?
O2 N1 O3 117.3(16) . . ?
O1 N1 O3 117.0(8) . . ?
O3A N1A O1A 123.4(11) . . ?
O3A N1A O2A 115.3(11) . . ?
O1A N1A O2A 117.7(10) . . ?
O2B N1B O3B 126.8(17) . . ?
O2B N1B O1B 118.4(15) . . ?
O3B N1B O1B 107.9(13) . . ?

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
Zn1 O11 C11 C16 12.6(5) . . . . ?
Dy1 O11 C11 C16 -154.6(3) . . . . ?
Zn1 O11 C11 C12 -168.0(3) . . . . ?
Dy1 O11 C11 C12 24.8(4) . . . . ?
C25 O12 C12 C13 -7.2(6) . . . . ?
Dy1 O12 C12 C13 162.8(3) . . . . ?
C25 O12 C12 C11 172.0(4) . . . . ?
Dy1 O12 C12 C11 -17.9(4) . . . . ?
O11 C11 C12 C13 177.0(4) . . . . ?
C16 C11 C12 C13 -3.6(6) . . . . ?
O11 C11 C12 O12 -2.3(5) . . . . ?
C16 C11 C12 O12 177.1(4) . . . . ?
O12 C12 C13 C14 -178.9(4) . . . . ?
C11 C12 C13 C14 1.9(7) . . . . ?
C12 C13 C14 C15 0.8(7) . . . . ?
C13 C14 C15 C16 -1.9(8) . . . . ?
O11 C11 C16 C15 -178.1(4) . . . . ?
C12 C11 C16 C15 2.5(6) . . . . ?
O11 C11 C16 C17 3.1(7) . . . . ?
C12 C11 C16 C17 -176.3(4) . . . . ?
C14 C15 C16 C11 0.2(7) . . . . ?
C14 C15 C16 C17 179.1(5) . . . . ?
C18 N11 C17 C16 176.2(4) . . . . ?
Zn1 N11 C17 C16 -6.4(6) . . . . ?
C11 C16 C17 N11 -6.6(7) . . . . ?
C15 C16 C17 N11 174.5(4) . . . . ?
C17 N11 C18 C19 -39.5(6) . . . . ?
Zn1 N11 C18 C19 142.9(4) . . . . ?
C17 N11 C18 C23 144.5(4) . . . . ?
Zn1 N11 C18 C23 -33.1(5) . . . . ?
C23 C18 C19 C20 -2.6(7) . . . . ?
N11 C18 C19 C20 -178.5(5) . . . . ?
C18 C19 C20 C21 -0.1(8) . . . . ?
C19 C20 C21 C22 1.7(8) . . . . ?
C20 C21 C22 C23 -0.6(8) . . . . ?
C24 O13 C23 C22 5.1(7) . . . . ?
Zn1 O13 C23 C22 -154.2(4) . . . . ?
C24 O13 C23 C18 -174.4(4) . . . . ?
Zn1 O13 C23 C18 26.3(5) . . . . ?
C21 C22 C23 O13 178.4(5) . . . . ?
C21 C22 C23 C18 -2.2(8) . . . . ?
C19 C18 C23 O13 -176.7(4) . . . . ?
N11 C18 C23 O13 -0.6(6) . . . . ?
C19 C18 C23 C22 3.8(7) . . . . ?
N11 C18 C23 C22 179.9(4) . . . . ?
Zn2 O31 C31 C36 12.2(6) . . . . ?
Dy1 O31 C31 C36 -154.1(3) . . . . ?
Zn2 O31 C31 C32 -169.9(3) . . . . ?
Dy1 O31 C31 C32 23.9(5) . . . . ?
C45 O32 C32 C33 -16.6(6) . . . . ?
Dy1 O32 C32 C33 155.0(4) . . . . ?
C45 O32 C32 C31 164.7(4) . . . . ?
Dy1 O32 C32 C31 -23.8(4) . . . . ?
O31 C31 C32 O32 2.0(5) . . . . ?
C36 C31 C32 O32 -179.9(4) . . . . ?
O31 C31 C32 C33 -176.7(4) . . . . ?
C36 C31 C32 C33 1.4(6) . . . . ?
O32 C32 C33 C34 -178.0(4) . . . . ?
C31 C32 C33 C34 0.6(7) . . . . ?
C32 C33 C34 C35 -1.8(8) . . . . ?
C33 C34 C35 C36 0.9(8) . . . . ?
O31 C31 C36 C35 175.8(4) . . . . ?
C32 C31 C36 C35 -2.1(6) . . . . ?
O31 C31 C36 C37 -5.5(7) . . . . ?
C32 C31 C36 C37 176.6(4) . . . . ?
C34 C35 C36 C31 1.0(7) . . . . ?
C34 C35 C36 C37 -177.8(5) . . . . ?
C38 N31 C37 C36 -180.0(4) . . . . ?
Zn2 N31 C37 C36 -4.3(7) . . . . ?
C31 C36 C37 N31 1.3(8) . . . . ?
C35 C36 C37 N31 -179.9(5) . . . . ?
C37 N31 C38 C43 158.3(4) . . . . ?
Zn2 N31 C38 C43 -17.6(5) . . . . ?
C37 N31 C38 C39 -22.8(6) . . . . ?
Zn2 N31 C38 C39 161.3(4) . . . . ?
C43 C38 C39 C40 -4.6(7) . . . . ?
N31 C38 C39 C40 176.5(4) . . . . ?
C38 C39 C40 C41 1.7(8) . . . . ?
C39 C40 C41 C42 1.9(9) . . . . ?
C40 C41 C42 C43 -2.4(8) . . . . ?
C44 O33 C43 C42 -26.1(7) . . . . ?
Zn2 O33 C43 C42 -168.9(4) . . . . ?
C44 O33 C43 C38 155.3(4) . . . . ?
Zn2 O33 C43 C38 12.5(5) . . . . ?
C41 C42 C43 O33 -179.1(5) . . . . ?
C41 C42 C43 C38 -0.6(8) . . . . ?
C39 C38 C43 O33 -177.3(4) . . . . ?
N31 C38 C43 O33 1.7(6) . . . . ?
C39 C38 C43 C42 4.1(7) . . . . ?
N31 C38 C43 C42 -177.0(4) . . . . ?
Dy1 O51 C51 O52 -17.9(9) . . . . ?
Dy1 O51 C51 C52 162.5(4) . . . . ?
Zn1 O52 C51 O51 0.2(6) . . . . ?
Zn1 O52 C51 C52 179.7(3) . . . . ?
Dy1 O61 C61 O62 -19.0(9) . . . . ?
Dy1 O61 C61 C62 160.8(5) . . . . ?
Zn1 O62 C61 O61 -9.9(5) . . . . ?
Zn1 O62 C61 C62 170.3(3) . . . . ?
Dy1 O71 C71 O72 -28.2(9) . . . . ?
Dy1 O71 C71 C72 154.3(5) . . . . ?
Zn2 O72 C71 O71 -12.2(6) . . . . ?
Zn2 O72 C71 C72 165.2(3) . . . . ?
Dy1 O81 C81 O82 -34.2(7) . . . . ?
Dy1 O81 C81 C82 147.2(4) . . . . ?
Zn2 O82 C81 O81 4.9(6) . . . . ?
Zn2 O82 C81 C82 -176.6(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C17 H17A O2A 0.95 2.51 3.452(11) 170.1 2_556 yes
C19 H19A O3 0.95 2.61 3.506(13) 157.3 2_556 yes
C19 H19A Br1 0.95 2.89 3.731(5) 148.2 . yes
C22 H22A O2A 0.95 2.58 3.482(11) 159.0 8_564 yes
C22 H22A O3B 0.95 2.57 3.501(16) 165.8 8_564 yes
C24 H24A O3B 0.98 2.66 3.175(17) 113.0 8_564 yes
C24 H24C O62 0.98 2.64 3.199(7) 116.6 . yes
C25 H25B O81 0.98 2.51 3.085(6) 117.2 . yes
C33 H33A O2 0.95 2.39 3.327(10) 169.5 . yes
C33 H33A O2 0.95 2.63 3.576(11) 173.3 2_556 yes
C37 H37A O2B 0.95 2.64 3.397(15) 136.7 6_665 yes
C39 H39A O2B 0.95 2.52 3.464(14) 176.0 6_665 yes
C44 H44C O72 0.98 2.61 3.158(7) 115.8 . yes
C45 H45B O51 0.98 2.53 3.082(6) 115.3 . yes
C45 H45C O2 0.98 2.58 3.412(11) 142.3 . yes
C82 H82B O1A 0.98 2.58 3.548(11) 171.9 3_544 yes
C82 H82C O52 0.98 2.57 3.439(6) 147.5 6_665 yes

_refine_diff_density_max         2.170
_refine_diff_density_min         -1.858
_refine_diff_density_rms         0.219

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1980087'
loop_
_audit_author_name
_audit_author_address
'SHANMUGAM MAHESWARAN'
;Indian Institute of Technology Bombay
India
;
_audit_update_record             
;
2020-07-10 deposited with the CCDC.	2020-07-13 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         
;
C38 H40 Dy N2 O14 Zn2, Cl
;
_chemical_formula_sum            'C38 H40 Cl Dy N2 O14 Zn2'
_chemical_formula_weight         1077.41

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

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.0346(7)
_cell_length_b                   13.9322(9)
_cell_length_c                   15.7132(9)
_cell_angle_alpha                75.924(5)
_cell_angle_beta                 67.502(5)
_cell_angle_gamma                78.161(5)
_cell_volume                     2537.1(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    13244
_cell_measurement_theta_min      2.1330
_cell_measurement_theta_max      31.0680

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_F_000             1074
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    2.503
_shelx_estimated_absorpt_T_min   0.705
_shelx_estimated_absorpt_T_max   0.806
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.61332
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   'CrysalisPro (Rigaku OD 2015)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   MicroMax003_Mo
_diffrn_measurement_device_type  'Rigaku Saturn724+ CCD (4x4 bin mode)'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            54615
_diffrn_reflns_av_unetI/netI     0.0944
_diffrn_reflns_av_R_equivalents  0.0982
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.885
_diffrn_reflns_theta_max         31.283
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.909
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.909
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.909
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             15059
_reflns_number_gt                10290
_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       
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_molecular_graphics    'Bruker SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'Bruker SHELXTL (Sheldrick, 2008)'
_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)+(0.0901P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15059
_refine_ls_number_parameters     691
_refine_ls_number_restraints     767
_refine_ls_R_factor_all          0.0988
_refine_ls_R_factor_gt           0.0628
_refine_ls_wR_factor_ref         0.1772
_refine_ls_wR_factor_gt          0.1566
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.010
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.27416(2) 0.49407(2) 0.26676(2) 0.03160(9) Uani 1 1 d . . . . .
Zn2 Zn 0.23360(5) 0.23713(4) 0.30130(4) 0.03444(15) Uani 1 1 d . . . . .
Zn1 Zn 0.28561(6) 0.75927(5) 0.21429(4) 0.04105(17) Uani 1 1 d . . . . .
O11 O 0.3449(3) 0.3270(2) 0.2903(2) 0.0318(7) Uani 1 1 d . . . . .
N11 N 0.3122(4) 0.1194(3) 0.3622(3) 0.0399(11) Uani 1 1 d . . . . .
C11 C 0.4475(4) 0.2926(4) 0.2886(3) 0.0312(10) Uani 1 1 d . . . . .
O12 O 0.4805(3) 0.4576(3) 0.2372(2) 0.0338(8) Uani 1 1 d . . . . .
C12 C 0.5263(4) 0.3598(4) 0.2582(3) 0.0301(10) Uani 1 1 d . . . . .
O13 O 0.1621(3) 0.0942(3) 0.3030(3) 0.0500(11) Uani 1 1 d . . . . .
C13 C 0.6362(4) 0.3317(4) 0.2471(4) 0.0379(12) Uani 1 1 d . . . . .
H13 H 0.686913 0.379968 0.224180 0.045 Uiso 1 1 calc R U . . .
C14 C 0.6725(5) 0.2327(5) 0.2695(5) 0.0557(16) Uani 1 1 d . . . . .
H14 H 0.750039 0.211801 0.257940 0.067 Uiso 1 1 calc R U . . .
C15 C 0.5965(5) 0.1612(5) 0.3096(4) 0.0492(15) Uani 1 1 d . . . . .
H15 H 0.621269 0.093849 0.330779 0.059 Uiso 1 1 calc R U . . .
C16 C 0.4849(4) 0.1905(4) 0.3177(4) 0.0391(12) Uani 1 1 d . . . . .
C17 C 0.4140(5) 0.1122(4) 0.3593(4) 0.0442(13) Uani 1 1 d . . . . .
H17 H 0.444519 0.050141 0.386865 0.053 Uiso 1 1 calc R U . . .
C18 C 0.2529(5) 0.0345(4) 0.4093(4) 0.0443(14) Uani 1 1 d . . . . .
C19 C 0.2706(5) -0.0315(4) 0.4865(5) 0.0535(16) Uani 1 1 d . . . . .
H19 H 0.324827 -0.022915 0.509880 0.064 Uiso 1 1 calc R U . . .
C20 C 0.2071(6) -0.1092(5) 0.5275(5) 0.067(2) Uani 1 1 d . . . . .
H20 H 0.217556 -0.154513 0.580342 0.081 Uiso 1 1 calc R U . . .
C21 C 0.1296(7) -0.1229(5) 0.4944(5) 0.069(2) Uani 1 1 d . . . . .
H21 H 0.088945 -0.178518 0.523444 0.082 Uiso 1 1 calc R U . . .
C22 C 0.1089(6) -0.0567(5) 0.4187(5) 0.064(2) Uani 1 1 d . . . . .
H22 H 0.053342 -0.065183 0.396797 0.077 Uiso 1 1 calc R U . . .
C23 C 0.1732(5) 0.0229(4) 0.3762(4) 0.0481(15) Uani 1 1 d . . . . .
C24 C 0.0805(6) 0.0900(5) 0.2662(5) 0.066(2) Uani 1 1 d . . . . .
H24A H 0.086344 0.142903 0.211125 0.099 Uiso 1 1 calc R U . . .
H24B H 0.005932 0.099354 0.313824 0.099 Uiso 1 1 calc R U . . .
H24C H 0.092488 0.024975 0.248151 0.099 Uiso 1 1 calc R U . . .
C25 C 0.5573(4) 0.5313(4) 0.2042(4) 0.0426(13) Uani 1 1 d . . . . .
H25A H 0.517190 0.597722 0.191748 0.064 Uiso 1 1 calc R U . . .
H25B H 0.617642 0.516891 0.146439 0.064 Uiso 1 1 calc R U . . .
H25C H 0.589032 0.529092 0.252083 0.064 Uiso 1 1 calc R U . . .
O31 O 0.3103(16) 0.6318(7) 0.3082(9) 0.0326(14) Uani 0.479(11) 1 d D U P A 1
O32 O 0.3059(14) 0.4604(6) 0.4165(8) 0.0322(14) Uani 0.479(11) 1 d D U P A 1
O33 O 0.2730(9) 0.9263(8) 0.1481(9) 0.0494(16) Uani 0.479(11) 1 d D U P A 1
N31 N 0.3824(11) 0.8269(7) 0.2587(9) 0.0408(15) Uani 0.479(11) 1 d D U P A 1
C31 C 0.341(2) 0.6251(9) 0.3792(10) 0.0338(11) Uani 0.479(11) 1 d D U P A 1
C32 C 0.3334(19) 0.5351(9) 0.4447(10) 0.0330(11) Uani 0.479(11) 1 d D U P A 1
C33 C 0.3504(13) 0.5237(8) 0.5278(8) 0.0360(14) Uani 0.479(11) 1 d D U P A 1
H33A H 0.336698 0.464178 0.573035 0.043 Uiso 0.479(11) 1 calc R U P A 1
C34 C 0.3885(12) 0.6027(9) 0.5441(8) 0.0380(14) Uani 0.479(11) 1 d D U P A 1
H34A H 0.404548 0.595845 0.599553 0.046 Uiso 0.479(11) 1 calc R U P A 1
C35 C 0.4023(12) 0.6885(9) 0.4802(8) 0.0381(14) Uani 0.479(11) 1 d D U P A 1
H35A H 0.425290 0.742098 0.493232 0.046 Uiso 0.479(11) 1 calc R U P A 1
C36 C 0.3840(16) 0.7013(8) 0.3959(9) 0.0376(12) Uani 0.479(11) 1 d D U P A 1
C37 C 0.4034(15) 0.7962(8) 0.3337(9) 0.0395(15) Uani 0.479(11) 1 d D U P A 1
H37A H 0.435514 0.840364 0.350996 0.047 Uiso 0.479(11) 1 calc R U P A 1
C38 C 0.4182(8) 0.9197(6) 0.2003(7) 0.0453(15) Uani 0.479(11) 1 d DG U P A 1
C39 C 0.5077(8) 0.9601(7) 0.1997(7) 0.0484(16) Uani 0.479(11) 1 d DG U P A 1
H39A H 0.548513 0.926184 0.239339 0.058 Uiso 0.479(11) 1 calc R U P A 1
C40 C 0.5374(9) 1.0499(7) 0.1410(7) 0.0501(18) Uani 0.479(11) 1 d DG U P A 1
H40A H 0.598509 1.077487 0.140557 0.060 Uiso 0.479(11) 1 calc R U P A 1
C41 C 0.4776(10) 1.0995(6) 0.0829(7) 0.0503(18) Uani 0.479(11) 1 d DG U P A 1
H41A H 0.497933 1.160923 0.042821 0.060 Uiso 0.479(11) 1 calc R U P A 1
C42 C 0.3882(9) 1.0592(6) 0.0835(7) 0.0507(17) Uani 0.479(11) 1 d DG U P A 1
H42A H 0.347361 1.093057 0.043866 0.061 Uiso 0.479(11) 1 calc R U P A 1
C43 C 0.3585(8) 0.9693(6) 0.1422(7) 0.0472(15) Uani 0.479(11) 1 d DG U P A 1
C44 C 0.2284(15) 0.9588(13) 0.0750(11) 0.055(2) Uani 0.479(11) 1 d D U P A 1
H44A H 0.198985 1.029611 0.072309 0.082 Uiso 0.479(11) 1 calc R U P A 1
H44B H 0.167971 0.919929 0.087135 0.082 Uiso 0.479(11) 1 calc R U P A 1
H44C H 0.287560 0.949124 0.015198 0.082 Uiso 0.479(11) 1 calc R U P A 1
C45 C 0.2977(14) 0.3661(7) 0.4804(8) 0.030(2) Uani 0.479(11) 1 d D U P A 1
H45A H 0.250558 0.377027 0.543780 0.045 Uiso 0.479(11) 1 calc R U P A 1
H45B H 0.372593 0.335274 0.479755 0.045 Uiso 0.479(11) 1 calc R U P A 1
H45C H 0.264417 0.322024 0.460976 0.045 Uiso 0.479(11) 1 calc R U P A 1
O31A O 0.3183(15) 0.6330(6) 0.2973(8) 0.0328(14) Uani 0.521(11) 1 d D U P A 2
O32A O 0.2957(13) 0.4742(6) 0.4231(7) 0.0327(14) Uani 0.521(11) 1 d D U P A 2
O33A O 0.2465(9) 0.9207(7) 0.1398(8) 0.0501(16) Uani 0.521(11) 1 d D U P A 2
N31A N 0.3692(11) 0.8362(7) 0.2434(8) 0.0409(15) Uani 0.521(11) 1 d D U P A 2
C31A C 0.3446(19) 0.6351(8) 0.3689(9) 0.0340(11) Uani 0.521(11) 1 d D U P A 2
C32A C 0.3381(18) 0.5488(8) 0.4388(9) 0.0331(11) Uani 0.521(11) 1 d D U P A 2
C33A C 0.3657(12) 0.5421(8) 0.5162(7) 0.0360(13) Uani 0.521(11) 1 d D U P A 2
H33B H 0.359945 0.482664 0.561854 0.043 Uiso 0.521(11) 1 calc R U P A 2
C34A C 0.4027(11) 0.6254(8) 0.5263(7) 0.0375(14) Uani 0.521(11) 1 d D U P A 2
H34B H 0.419538 0.623717 0.580411 0.045 Uiso 0.521(11) 1 calc R U P A 2
C35A C 0.4142(11) 0.7079(8) 0.4583(7) 0.0387(13) Uani 0.521(11) 1 d D U P A 2
H35B H 0.444757 0.761651 0.463561 0.046 Uiso 0.521(11) 1 calc R U P A 2
C36A C 0.3828(15) 0.7170(8) 0.3809(8) 0.0380(12) Uani 0.521(11) 1 d D U P A 2
C37A C 0.3992(14) 0.8094(8) 0.3141(8) 0.0409(15) Uani 0.521(11) 1 d D U P A 2
H37B H 0.436547 0.854828 0.324515 0.049 Uiso 0.521(11) 1 calc R U P A 2
C38A C 0.3917(8) 0.9324(6) 0.1852(6) 0.0459(15) Uani 0.521(11) 1 d DG U P A 2
C39A C 0.4770(8) 0.9821(6) 0.1796(6) 0.0492(16) Uani 0.521(11) 1 d DG U P A 2
H39B H 0.521218 0.954401 0.217766 0.059 Uiso 0.521(11) 1 calc R U P A 2
C40A C 0.4975(8) 1.0722(6) 0.1181(7) 0.0503(17) Uani 0.521(11) 1 d DG U P A 2
H40B H 0.555731 1.106145 0.114237 0.060 Uiso 0.521(11) 1 calc R U P A 2
C41A C 0.4327(9) 1.1127(5) 0.0622(6) 0.0523(19) Uani 0.521(11) 1 d DG U P A 2
H41B H 0.446725 1.174276 0.020177 0.063 Uiso 0.521(11) 1 calc R U P A 2
C42A C 0.3475(9) 1.0630(6) 0.0678(6) 0.0504(17) Uani 0.521(11) 1 d DG U P A 2
H42B H 0.303205 1.090666 0.029647 0.060 Uiso 0.521(11) 1 calc R U P A 2
C43A C 0.3270(8) 0.9729(6) 0.1293(7) 0.0482(15) Uani 0.521(11) 1 d DG U P A 2
C44A C 0.1949(14) 0.9454(12) 0.0714(10) 0.055(2) Uani 0.521(11) 1 d D U P A 2
H44D H 0.143725 1.007396 0.079768 0.082 Uiso 0.521(11) 1 calc R U P A 2
H44E H 0.152752 0.891469 0.078302 0.082 Uiso 0.521(11) 1 calc R U P A 2
H44F H 0.252344 0.954281 0.008707 0.082 Uiso 0.521(11) 1 calc R U P A 2
C45A C 0.2801(13) 0.3861(8) 0.4949(8) 0.033(2) Uani 0.521(11) 1 d D U P A 2
H45D H 0.352113 0.356535 0.501928 0.049 Uiso 0.521(11) 1 calc R U P A 2
H45E H 0.250397 0.337771 0.477266 0.049 Uiso 0.521(11) 1 calc R U P A 2
H45F H 0.227294 0.403997 0.554386 0.049 Uiso 0.521(11) 1 calc R U P A 2
O51 O 0.1227(4) 0.7745(3) 0.2589(3) 0.0557(11) Uani 1 1 d . . . . .
O52 O 0.1350(4) 0.6185(3) 0.2494(3) 0.0538(11) Uani 1 1 d . . . . .
C51 C 0.0798(5) 0.6985(6) 0.2688(5) 0.0595(19) Uani 1 1 d . . . . .
C52 C -0.0443(6) 0.7086(8) 0.3043(8) 0.121(4) Uani 1 1 d . . . . .
H52A H -0.068691 0.654674 0.289433 0.182 Uiso 1 1 calc R U . . .
H52B H -0.073443 0.773062 0.274651 0.182 Uiso 1 1 calc R U . . .
H52C H -0.072740 0.704694 0.372376 0.182 Uiso 1 1 calc R U . . .
O53 O 0.2162(4) 0.4302(3) 0.1751(3) 0.0578(12) Uani 1 1 d . . . . .
O54 O 0.2338(4) 0.2683(3) 0.1741(3) 0.0522(11) Uani 1 1 d . . . . .
C53 C 0.2257(5) 0.3581(6) 0.1359(4) 0.0544(17) Uani 1 1 d . . . . .
C54 C 0.2272(9) 0.3797(8) 0.0382(5) 0.104(3) Uani 1 1 d . . . . .
H54A H 0.293003 0.341263 -0.000333 0.156 Uiso 1 1 calc R U . . .
H54B H 0.230608 0.451067 0.013049 0.156 Uiso 1 1 calc R U . . .
H54C H 0.159174 0.361003 0.037398 0.156 Uiso 1 1 calc R U . . .
O55 O 0.3600(4) 0.7348(3) 0.0865(2) 0.0478(10) Uani 1 1 d . . . . .
O56 O 0.3691(3) 0.5701(3) 0.1191(2) 0.0394(9) Uani 1 1 d . . . . .
C55 C 0.3857(4) 0.6502(4) 0.0637(3) 0.0347(11) Uani 1 1 d . . . . .
C56 C 0.4416(7) 0.6465(5) -0.0388(4) 0.062(2) Uani 1 1 d . . . . .
H56A H 0.488051 0.700857 -0.069620 0.092 Uiso 1 1 calc R U . . .
H56B H 0.384528 0.653771 -0.067032 0.092 Uiso 1 1 calc R U . . .
H56C H 0.488748 0.582390 -0.046630 0.092 Uiso 1 1 calc R U . . .
O57 O 0.1202(3) 0.4310(3) 0.3812(3) 0.0414(9) Uani 1 1 d . . . . .
O58 O 0.0902(3) 0.2760(3) 0.3944(2) 0.0366(8) Uani 1 1 d . . . . .
C57 C 0.0599(4) 0.3615(4) 0.4158(3) 0.0326(11) Uani 1 1 d . . . . .
C58 C -0.0539(5) 0.3803(5) 0.4858(5) 0.0530(17) Uani 1 1 d . . . . .
H58A H -0.067822 0.322767 0.537207 0.080 Uiso 1 1 calc R U . . .
H58B H -0.109732 0.390413 0.455774 0.080 Uiso 1 1 calc R U . . .
H58C H -0.059018 0.439941 0.510441 0.080 Uiso 1 1 calc R U . . .
Cl1 Cl 0.6389(5) 0.8670(3) 0.3862(4) 0.130(2) Uani 0.690(7) 1 d . U P . .
Cl1A Cl 0.5558(12) 0.8970(8) 0.4430(9) 0.130(3) Uani 0.310(7) 1 d . U 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
Dy1 O53 2.274(4) . ?
Dy1 O56 2.277(3) . ?
Dy1 O52 2.287(4) . ?
Dy1 O57 2.287(3) . ?
Dy1 O11 2.317(3) . ?
Dy1 O31A 2.330(8) . ?
Dy1 O31 2.354(8) . ?
Dy1 O32 2.460(10) . ?
Dy1 O12 2.511(3) . ?
Dy1 O32A 2.522(10) . ?
Zn2 O54 1.939(4) . ?
Zn2 O58 1.950(3) . ?
Zn2 N11 1.988(5) . ?
Zn2 O11 2.037(3) . ?
Zn2 O13 2.356(4) . ?
Zn1 N31A 1.910(9) . ?
Zn1 O51 1.947(4) . ?
Zn1 O55 1.948(4) . ?
Zn1 O31A 1.994(8) . ?
Zn1 O31 2.071(8) . ?
Zn1 N31 2.110(10) . ?
Zn1 O33 2.307(9) . ?
Zn1 O33A 2.323(8) . ?
O11 C11 1.317(6) . ?
N11 C17 1.293(7) . ?
N11 C18 1.435(7) . ?
C11 C12 1.400(6) . ?
C11 C16 1.428(7) . ?
O12 C12 1.386(6) . ?
O12 C25 1.445(5) . ?
C12 C13 1.359(7) . ?
O13 C23 1.358(8) . ?
O13 C24 1.407(8) . ?
C13 C14 1.369(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.411(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.393(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.441(7) . ?
C17 H17 0.9500 . ?
C18 C23 1.377(9) . ?
C18 C19 1.399(9) . ?
C19 C20 1.376(8) . ?
C19 H19 0.9500 . ?
C20 C21 1.362(11) . ?
C20 H20 0.9500 . ?
C21 C22 1.396(11) . ?
C21 H21 0.9500 . ?
C22 C23 1.404(8) . ?
C22 H22 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
O31 C31 1.304(7) . ?
O32 C32 1.382(7) . ?
O32 C45 1.441(6) . ?
O33 C43 1.333(7) . ?
O33 C44 1.418(10) . ?
N31 C37 1.264(9) . ?
N31 C38 1.441(6) . ?
C31 C32 1.409(8) . ?
C31 C36 1.412(8) . ?
C32 C33 1.371(8) . ?
C33 C34 1.409(9) . ?
C33 H33A 0.9500 . ?
C34 C35 1.355(9) . ?
C34 H34A 0.9500 . ?
C35 C36 1.397(9) . ?
C35 H35A 0.9500 . ?
C36 C37 1.444(9) . ?
C37 H37A 0.9500 . ?
C38 C39 1.3900 . ?
C38 C43 1.3900 . ?
C39 C40 1.3900 . ?
C39 H39A 0.9500 . ?
C40 C41 1.3900 . ?
C40 H40A 0.9500 . ?
C41 C42 1.3900 . ?
C41 H41A 0.9500 . ?
C42 C43 1.3900 . ?
C42 H42A 0.9500 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
O31A C31A 1.304(7) . ?
O32A C32A 1.382(7) . ?
O32A C45A 1.440(6) . ?
O33A C43A 1.333(7) . ?
O33A C44A 1.416(10) . ?
N31A C37A 1.264(9) . ?
N31A C38A 1.441(6) . ?
C31A C32A 1.410(8) . ?
C31A C36A 1.412(7) . ?
C32A C33A 1.371(8) . ?
C33A C34A 1.408(9) . ?
C33A H33B 0.9500 . ?
C34A C35A 1.355(9) . ?
C34A H34B 0.9500 . ?
C35A C36A 1.396(9) . ?
C35A H35B 0.9500 . ?
C36A C37A 1.444(9) . ?
C37A H37B 0.9500 . ?
C38A C39A 1.3900 . ?
C38A C43A 1.3900 . ?
C39A C40A 1.3900 . ?
C39A H39B 0.9500 . ?
C40A C41A 1.3900 . ?
C40A H40B 0.9500 . ?
C41A C42A 1.3900 . ?
C41A H41B 0.9500 . ?
C42A C43A 1.3900 . ?
C42A H42B 0.9500 . ?
C44A H44D 0.9800 . ?
C44A H44E 0.9800 . ?
C44A H44F 0.9800 . ?
C45A H45D 0.9800 . ?
C45A H45E 0.9800 . ?
C45A H45F 0.9800 . ?
O51 C51 1.248(8) . ?
O52 C51 1.233(8) . ?
C51 C52 1.484(9) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
O53 C53 1.262(8) . ?
O54 C53 1.252(8) . ?
C53 C54 1.484(9) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
O55 C55 1.258(6) . ?
O56 C55 1.237(6) . ?
C55 C56 1.501(7) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
O57 C57 1.256(5) . ?
O58 C57 1.261(6) . ?
C57 C58 1.486(7) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
Cl1 Cl1A 1.184(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O53 Dy1 O56 76.68(14) . . ?
O53 Dy1 O52 81.02(17) . . ?
O56 Dy1 O52 82.23(15) . . ?
O53 Dy1 O57 82.09(15) . . ?
O56 Dy1 O57 153.42(15) . . ?
O52 Dy1 O57 78.79(14) . . ?
O53 Dy1 O11 77.33(14) . . ?
O56 Dy1 O11 110.07(13) . . ?
O52 Dy1 O11 151.56(13) . . ?
O57 Dy1 O11 80.14(12) . . ?
O53 Dy1 O31A 148.0(2) . . ?
O56 Dy1 O31A 79.0(3) . . ?
O52 Dy1 O31A 75.3(4) . . ?
O57 Dy1 O31A 113.5(4) . . ?
O11 Dy1 O31A 131.2(3) . . ?
O53 Dy1 O31 150.2(2) . . ?
O56 Dy1 O31 82.8(3) . . ?
O52 Dy1 O31 75.0(4) . . ?
O57 Dy1 O31 109.7(4) . . ?
O11 Dy1 O31 130.7(3) . . ?
O53 Dy1 O32 144.2(2) . . ?
O56 Dy1 O32 133.5(3) . . ?
O52 Dy1 O32 116.8(4) . . ?
O57 Dy1 O32 72.4(4) . . ?
O11 Dy1 O32 74.0(3) . . ?
O31 Dy1 O32 64.5(3) . . ?
O53 Dy1 O12 114.76(15) . . ?
O56 Dy1 O12 70.76(13) . . ?
O52 Dy1 O12 143.35(12) . . ?
O57 Dy1 O12 133.86(13) . . ?
O11 Dy1 O12 64.07(11) . . ?
O31A Dy1 O12 75.5(4) . . ?
O31 Dy1 O12 77.4(5) . . ?
O32 Dy1 O12 70.5(4) . . ?
O53 Dy1 O32A 147.1(2) . . ?
O56 Dy1 O32A 133.5(3) . . ?
O52 Dy1 O32A 111.8(3) . . ?
O57 Dy1 O32A 71.6(3) . . ?
O11 Dy1 O32A 79.0(2) . . ?
O31A Dy1 O32A 63.7(2) . . ?
O12 Dy1 O32A 73.7(4) . . ?
O54 Zn2 O58 114.02(18) . . ?
O54 Zn2 N11 128.81(19) . . ?
O58 Zn2 N11 108.47(16) . . ?
O54 Zn2 O11 100.42(16) . . ?
O58 Zn2 O11 108.28(14) . . ?
N11 Zn2 O11 91.87(16) . . ?
O54 Zn2 O13 81.45(16) . . ?
O58 Zn2 O13 88.54(14) . . ?
N11 Zn2 O13 72.27(17) . . ?
O11 Zn2 O13 160.11(15) . . ?
N31A Zn1 O51 123.6(5) . . ?
N31A Zn1 O55 110.8(4) . . ?
O51 Zn1 O55 115.3(2) . . ?
N31A Zn1 O31A 95.5(4) . . ?
O51 Zn1 O31A 101.2(5) . . ?
O55 Zn1 O31A 106.1(4) . . ?
O51 Zn1 O31 98.2(5) . . ?
O55 Zn1 O31 109.9(5) . . ?
O51 Zn1 N31 125.3(5) . . ?
O55 Zn1 N31 113.3(4) . . ?
O31 Zn1 N31 87.4(4) . . ?
O51 Zn1 O33 87.0(3) . . ?
O55 Zn1 O33 86.2(4) . . ?
O31 Zn1 O33 158.5(5) . . ?
N31 Zn1 O33 72.8(3) . . ?
N31A Zn1 O33A 75.9(3) . . ?
O51 Zn1 O33A 78.9(3) . . ?
O55 Zn1 O33A 83.3(4) . . ?
O31A Zn1 O33A 169.2(5) . . ?
C11 O11 Zn2 122.8(3) . . ?
C11 O11 Dy1 125.3(3) . . ?
Zn2 O11 Dy1 111.66(15) . . ?
C17 N11 C18 117.7(5) . . ?
C17 N11 Zn2 125.0(4) . . ?
C18 N11 Zn2 117.2(4) . . ?
O11 C11 C12 118.8(5) . . ?
O11 C11 C16 124.6(4) . . ?
C12 C11 C16 116.5(5) . . ?
C12 O12 C25 115.6(4) . . ?
C12 O12 Dy1 118.8(3) . . ?
C25 O12 Dy1 125.5(3) . . ?
C13 C12 O12 123.9(4) . . ?
C13 C12 C11 123.7(5) . . ?
O12 C12 C11 112.4(4) . . ?
C23 O13 C24 118.9(5) . . ?
C23 O13 Zn2 108.8(3) . . ?
C24 O13 Zn2 127.4(4) . . ?
C12 C13 C14 118.9(5) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 H13 120.5 . . ?
C13 C14 C15 120.9(5) . . ?
C13 C14 H14 119.5 . . ?
C15 C14 H14 119.5 . . ?
C16 C15 C14 119.3(6) . . ?
C16 C15 H15 120.3 . . ?
C14 C15 H15 120.3 . . ?
C15 C16 C11 120.1(5) . . ?
C15 C16 C17 115.2(5) . . ?
C11 C16 C17 124.7(5) . . ?
N11 C17 C16 125.4(6) . . ?
N11 C17 H17 117.3 . . ?
C16 C17 H17 117.3 . . ?
C23 C18 C19 121.1(5) . . ?
C23 C18 N11 116.1(6) . . ?
C19 C18 N11 122.8(6) . . ?
C20 C19 C18 117.8(7) . . ?
C20 C19 H19 121.1 . . ?
C18 C19 H19 121.1 . . ?
C21 C20 C19 121.8(7) . . ?
C21 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
C20 C21 C22 121.3(6) . . ?
C20 C21 H21 119.3 . . ?
C22 C21 H21 119.3 . . ?
C21 C22 C23 117.5(7) . . ?
C21 C22 H22 121.3 . . ?
C23 C22 H22 121.3 . . ?
O13 C23 C18 114.9(5) . . ?
O13 C23 C22 124.6(7) . . ?
C18 C23 C22 120.5(7) . . ?
O13 C24 H24A 109.5 . . ?
O13 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O13 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O12 C25 H25A 109.5 . . ?
O12 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O12 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C31 O31 Zn1 127.4(5) . . ?
C31 O31 Dy1 123.5(5) . . ?
Zn1 O31 Dy1 109.0(4) . . ?
C32 O32 C45 115.2(5) . . ?
C32 O32 Dy1 119.9(4) . . ?
C45 O32 Dy1 124.9(5) . . ?
C43 O33 C44 117.9(6) . . ?
C43 O33 Zn1 112.5(5) . . ?
C44 O33 Zn1 119.0(9) . . ?
C37 N31 C38 119.5(6) . . ?
C37 N31 Zn1 125.4(5) . . ?
C38 N31 Zn1 114.9(5) . . ?
O31 C31 C32 118.4(5) . . ?
O31 C31 C36 125.0(6) . . ?
C32 C31 C36 116.6(5) . . ?
C33 C32 O32 124.0(5) . . ?
C33 C32 C31 123.4(6) . . ?
O32 C32 C31 112.7(5) . . ?
C32 C33 C34 118.2(6) . . ?
C32 C33 H33A 120.9 . . ?
C34 C33 H33A 120.9 . . ?
C35 C34 C33 119.6(6) . . ?
C35 C34 H34A 120.2 . . ?
C33 C34 H34A 120.2 . . ?
C34 C35 C36 122.6(6) . . ?
C34 C35 H35A 118.7 . . ?
C36 C35 H35A 118.7 . . ?
C35 C36 C31 119.0(6) . . ?
C35 C36 C37 116.8(6) . . ?
C31 C36 C37 124.1(6) . . ?
N31 C37 C36 127.2(6) . . ?
N31 C37 H37A 116.4 . . ?
C36 C37 H37A 116.4 . . ?
C39 C38 C43 120.0 . . ?
C39 C38 N31 123.4(4) . . ?
C43 C38 N31 116.6(4) . . ?
C40 C39 C38 120.0 . . ?
C40 C39 H39A 120.0 . . ?
C38 C39 H39A 120.0 . . ?
C41 C40 C39 120.0 . . ?
C41 C40 H40A 120.0 . . ?
C39 C40 H40A 120.0 . . ?
C40 C41 C42 120.0 . . ?
C40 C41 H41A 120.0 . . ?
C42 C41 H41A 120.0 . . ?
C43 C42 C41 120.0 . . ?
C43 C42 H42A 120.0 . . ?
C41 C42 H42A 120.0 . . ?
O33 C43 C42 123.8(4) . . ?
O33 C43 C38 116.2(4) . . ?
C42 C43 C38 120.0 . . ?
O33 C44 H44A 109.5 . . ?
O33 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O33 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O32 C45 H45A 109.5 . . ?
O32 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O32 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C31A O31A Zn1 120.6(6) . . ?
C31A O31A Dy1 125.8(4) . . ?
Zn1 O31A Dy1 112.8(4) . . ?
C32A O32A C45A 115.6(5) . . ?
C32A O32A Dy1 118.3(4) . . ?
C45A O32A Dy1 125.6(5) . . ?
C43A O33A C44A 118.4(6) . . ?
C43A O33A Zn1 108.2(5) . . ?
C44A O33A Zn1 124.3(8) . . ?
C37A N31A C38A 119.1(6) . . ?
C37A N31A Zn1 123.0(5) . . ?
C38A N31A Zn1 117.8(5) . . ?
O31A C31A C32A 118.4(5) . . ?
O31A C31A C36A 124.8(5) . . ?
C32A C31A C36A 116.8(5) . . ?
C33A C32A O32A 124.0(5) . . ?
C33A C32A C31A 123.3(5) . . ?
O32A C32A C31A 112.6(5) . . ?
C32A C33A C34A 118.5(6) . . ?
C32A C33A H33B 120.7 . . ?
C34A C33A H33B 120.7 . . ?
C35A C34A C33A 119.5(6) . . ?
C35A C34A H34B 120.2 . . ?
C33A C34A H34B 120.2 . . ?
C34A C35A C36A 122.4(6) . . ?
C34A C35A H35B 118.8 . . ?
C36A C35A H35B 118.8 . . ?
C35A C36A C31A 119.3(6) . . ?
C35A C36A C37A 116.5(6) . . ?
C31A C36A C37A 124.1(6) . . ?
N31A C37A C36A 127.0(6) . . ?
N31A C37A H37B 116.5 . . ?
C36A C37A H37B 116.5 . . ?
C39A C38A C43A 120.0 . . ?
C39A C38A N31A 123.3(4) . . ?
C43A C38A N31A 116.6(4) . . ?
C40A C39A C38A 120.0 . . ?
C40A C39A H39B 120.0 . . ?
C38A C39A H39B 120.0 . . ?
C39A C40A C41A 120.0 . . ?
C39A C40A H40B 120.0 . . ?
C41A C40A H40B 120.0 . . ?
C42A C41A C40A 120.0 . . ?
C42A C41A H41B 120.0 . . ?
C40A C41A H41B 120.0 . . ?
C41A C42A C43A 120.0 . . ?
C41A C42A H42B 120.0 . . ?
C43A C42A H42B 120.0 . . ?
O33A C43A C42A 124.0(4) . . ?
O33A C43A C38A 116.0(4) . . ?
C42A C43A C38A 120.0 . . ?
O33A C44A H44D 109.5 . . ?
O33A C44A H44E 109.5 . . ?
H44D C44A H44E 109.5 . . ?
O33A C44A H44F 109.5 . . ?
H44D C44A H44F 109.5 . . ?
H44E C44A H44F 109.5 . . ?
O32A C45A H45D 109.5 . . ?
O32A C45A H45E 109.5 . . ?
H45D C45A H45E 109.5 . . ?
O32A C45A H45F 109.5 . . ?
H45D C45A H45F 109.5 . . ?
H45E C45A H45F 109.5 . . ?
C51 O51 Zn1 115.9(4) . . ?
C51 O52 Dy1 148.4(5) . . ?
O52 C51 O51 123.3(6) . . ?
O52 C51 C52 120.2(8) . . ?
O51 C51 C52 116.4(7) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C53 O53 Dy1 147.3(5) . . ?
C53 O54 Zn2 118.1(4) . . ?
O54 C53 O53 124.3(5) . . ?
O54 C53 C54 116.9(7) . . ?
O53 C53 C54 118.8(7) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C55 O55 Zn1 124.9(3) . . ?
C55 O56 Dy1 146.2(3) . . ?
O56 C55 O55 125.1(5) . . ?
O56 C55 C56 117.7(5) . . ?
O55 C55 C56 117.1(4) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C57 O57 Dy1 148.4(3) . . ?
C57 O58 Zn2 124.2(3) . . ?
O57 C57 O58 123.7(5) . . ?
O57 C57 C58 118.8(5) . . ?
O58 C57 C58 117.6(4) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zn2 O11 C11 C12 164.5(3) . . . . ?
Dy1 O11 C11 C12 -9.0(6) . . . . ?
Zn2 O11 C11 C16 -17.0(6) . . . . ?
Dy1 O11 C11 C16 169.5(4) . . . . ?
C25 O12 C12 C13 -1.7(7) . . . . ?
Dy1 O12 C12 C13 -178.4(4) . . . . ?
C25 O12 C12 C11 -179.3(4) . . . . ?
Dy1 O12 C12 C11 4.0(5) . . . . ?
O11 C11 C12 C13 -175.0(5) . . . . ?
C16 C11 C12 C13 6.3(7) . . . . ?
O11 C11 C12 O12 2.5(6) . . . . ?
C16 C11 C12 O12 -176.1(4) . . . . ?
O12 C12 C13 C14 -179.5(5) . . . . ?
C11 C12 C13 C14 -2.3(8) . . . . ?
C12 C13 C14 C15 -4.3(9) . . . . ?
C13 C14 C15 C16 6.5(10) . . . . ?
C14 C15 C16 C11 -2.1(9) . . . . ?
C14 C15 C16 C17 179.9(6) . . . . ?
O11 C11 C16 C15 177.5(5) . . . . ?
C12 C11 C16 C15 -4.0(7) . . . . ?
O11 C11 C16 C17 -4.7(8) . . . . ?
C12 C11 C16 C17 173.8(5) . . . . ?
C18 N11 C17 C16 -178.1(5) . . . . ?
Zn2 N11 C17 C16 4.9(8) . . . . ?
C15 C16 C17 N11 -170.3(6) . . . . ?
C11 C16 C17 N11 11.9(9) . . . . ?
C17 N11 C18 C23 -150.1(5) . . . . ?
Zn2 N11 C18 C23 27.2(6) . . . . ?
C17 N11 C18 C19 32.3(8) . . . . ?
Zn2 N11 C18 C19 -150.5(5) . . . . ?
C23 C18 C19 C20 1.0(9) . . . . ?
N11 C18 C19 C20 178.5(5) . . . . ?
C18 C19 C20 C21 0.4(10) . . . . ?
C19 C20 C21 C22 -1.9(11) . . . . ?
C20 C21 C22 C23 1.8(10) . . . . ?
C24 O13 C23 C18 -178.3(5) . . . . ?
Zn2 O13 C23 C18 -21.4(5) . . . . ?
C24 O13 C23 C22 0.5(8) . . . . ?
Zn2 O13 C23 C22 157.4(5) . . . . ?
C19 C18 C23 O13 177.8(5) . . . . ?
N11 C18 C23 O13 0.1(7) . . . . ?
C19 C18 C23 C22 -1.0(8) . . . . ?
N11 C18 C23 C22 -178.7(5) . . . . ?
C21 C22 C23 O13 -179.1(5) . . . . ?
C21 C22 C23 C18 -0.3(8) . . . . ?
Zn1 O31 C31 C32 168.3(16) . . . . ?
Dy1 O31 C31 C32 -12(3) . . . . ?
Zn1 O31 C31 C36 -12(3) . . . . ?
Dy1 O31 C31 C36 167.4(16) . . . . ?
C45 O32 C32 C33 -1(3) . . . . ?
Dy1 O32 C32 C33 178.6(15) . . . . ?
C45 O32 C32 C31 179.3(16) . . . . ?
Dy1 O32 C32 C31 -1(2) . . . . ?
O31 C31 C32 C33 -172(2) . . . . ?
C36 C31 C32 C33 9(3) . . . . ?
O31 C31 C32 O32 8(3) . . . . ?
C36 C31 C32 O32 -172(2) . . . . ?
O32 C32 C33 C34 174.0(18) . . . . ?
C31 C32 C33 C34 -7(3) . . . . ?
C32 C33 C34 C35 3(2) . . . . ?
C33 C34 C35 C36 -2(2) . . . . ?
C34 C35 C36 C31 5(2) . . . . ?
C34 C35 C36 C37 -179.1(14) . . . . ?
O31 C31 C36 C35 173(2) . . . . ?
C32 C31 C36 C35 -8(3) . . . . ?
O31 C31 C36 C37 -3(3) . . . . ?
C32 C31 C36 C37 176.6(19) . . . . ?
C38 N31 C37 C36 -173.5(15) . . . . ?
Zn1 N31 C37 C36 12(3) . . . . ?
C35 C36 C37 N31 -173.0(17) . . . . ?
C31 C36 C37 N31 3(3) . . . . ?
C37 N31 C38 C39 24.9(18) . . . . ?
Zn1 N31 C38 C39 -159.8(6) . . . . ?
C37 N31 C38 C43 -155.3(13) . . . . ?
Zn1 N31 C38 C43 20.0(11) . . . . ?
C43 C38 C39 C40 0.0 . . . . ?
N31 C38 C39 C40 179.8(10) . . . . ?
C38 C39 C40 C41 0.0 . . . . ?
C39 C40 C41 C42 0.0 . . . . ?
C40 C41 C42 C43 0.0 . . . . ?
C44 O33 C43 C42 17.0(17) . . . . ?
Zn1 O33 C43 C42 161.5(6) . . . . ?
C44 O33 C43 C38 -164.0(12) . . . . ?
Zn1 O33 C43 C38 -19.4(10) . . . . ?
C41 C42 C43 O33 179.0(11) . . . . ?
C41 C42 C43 C38 0.0 . . . . ?
C39 C38 C43 O33 -179.1(10) . . . . ?
N31 C38 C43 O33 1.1(11) . . . . ?
C39 C38 C43 C42 0.0 . . . . ?
N31 C38 C43 C42 -179.8(10) . . . . ?
Zn1 O31A C31A C32A 163.5(15) . . . . ?
Dy1 O31A C31A C32A -5(3) . . . . ?
Zn1 O31A C31A C36A -18(3) . . . . ?
Dy1 O31A C31A C36A 172.7(15) . . . . ?
C45A O32A C32A C33A 1(3) . . . . ?
Dy1 O32A C32A C33A -172.3(14) . . . . ?
C45A O32A C32A C31A -176.3(15) . . . . ?
Dy1 O32A C32A C31A 11(2) . . . . ?
O31A C31A C32A C33A 178.8(19) . . . . ?
C36A C31A C32A C33A 1(3) . . . . ?
O31A C31A C32A O32A -4(3) . . . . ?
C36A C31A C32A O32A 177.6(18) . . . . ?
O32A C32A C33A C34A -176.8(16) . . . . ?
C31A C32A C33A C34A 0(3) . . . . ?
C32A C33A C34A C35A -3(2) . . . . ?
C33A C34A C35A C36A 5(2) . . . . ?
C34A C35A C36A C31A -4(2) . . . . ?
C34A C35A C36A C37A 179.7(13) . . . . ?
O31A C31A C36A C35A -176.5(18) . . . . ?
C32A C31A C36A C35A 2(3) . . . . ?
O31A C31A C36A C37A -1(3) . . . . ?
C32A C31A C36A C37A 177.2(17) . . . . ?
C38A N31A C37A C36A 179.2(14) . . . . ?
Zn1 N31A C37A C36A 4(2) . . . . ?
C35A C36A C37A N31A -174.3(16) . . . . ?
C31A C36A C37A N31A 10(3) . . . . ?
C37A N31A C38A C39A 24.3(16) . . . . ?
Zn1 N31A C38A C39A -160.0(6) . . . . ?
C37A N31A C38A C43A -159.0(12) . . . . ?
Zn1 N31A C38A C43A 16.7(11) . . . . ?
C43A C38A C39A C40A 0.0 . . . . ?
N31A C38A C39A C40A 176.6(9) . . . . ?
C38A C39A C40A C41A 0.0 . . . . ?
C39A C40A C41A C42A 0.0 . . . . ?
C40A C41A C42A C43A 0.0 . . . . ?
C44A O33A C43A C42A 14.5(16) . . . . ?
Zn1 O33A C43A C42A 162.9(5) . . . . ?
C44A O33A C43A C38A -166.0(11) . . . . ?
Zn1 O33A C43A C38A -17.6(9) . . . . ?
C41A C42A C43A O33A 179.5(10) . . . . ?
C41A C42A C43A C38A 0.0 . . . . ?
C39A C38A C43A O33A -179.5(9) . . . . ?
N31A C38A C43A O33A 3.7(10) . . . . ?
C39A C38A C43A C42A 0.0 . . . . ?
N31A C38A C43A C42A -176.8(9) . . . . ?
Dy1 O52 C51 O51 52.8(12) . . . . ?
Dy1 O52 C51 C52 -128.2(9) . . . . ?
Zn1 O51 C51 O52 -2.0(9) . . . . ?
Zn1 O51 C51 C52 179.0(6) . . . . ?
Zn2 O54 C53 O53 -0.7(9) . . . . ?
Zn2 O54 C53 C54 179.4(5) . . . . ?
Dy1 O53 C53 O54 42.9(11) . . . . ?
Dy1 O53 C53 C54 -137.1(7) . . . . ?
Dy1 O56 C55 O55 17.3(11) . . . . ?
Dy1 O56 C55 C56 -163.3(5) . . . . ?
Zn1 O55 C55 O56 -1.3(8) . . . . ?
Zn1 O55 C55 C56 179.3(5) . . . . ?
Dy1 O57 C57 O58 15.2(11) . . . . ?
Dy1 O57 C57 C58 -164.7(5) . . . . ?
Zn2 O58 C57 O57 -2.1(8) . . . . ?
Zn2 O58 C57 C58 177.8(4) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C17 H17 Cl1A 0.95 2.50 3.436(14) 170.4 1_545 yes
C19 H19 Cl1A 0.95 2.86 3.484(15) 124.2 1_545 yes
C19 H19 Cl1A 0.95 2.95 3.811(12) 151.9 2_666 yes
C24 H24A O54 0.98 2.67 3.214(8) 115.6 . yes
C24 H24C O33 0.98 2.61 3.331(16) 130.8 1_545 yes
C24 H24C O33A 0.98 2.54 3.331(15) 138.1 1_545 yes
C25 H25A O31A 0.98 2.51 3.093(19) 118.0 . yes
C37 H37A Cl1A 0.95 2.82 3.714(16) 156.8 . yes
C39 H39A Cl1 0.95 2.85 3.778(11) 164.4 . yes
C45 H45C O57 0.98 2.67 3.133(17) 109.4 . yes
C58 H58C O57 0.98 2.57 3.520(7) 162.0 2_566 yes

_refine_diff_density_max         2.262
_refine_diff_density_min         -1.965
_refine_diff_density_rms         0.191



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1980086'
loop_
_audit_author_name
_audit_author_address
'SHANMUGAM MAHESWARAN'
;Indian Institute of Technology Bombay
India
;
_audit_update_record             
;
2020-07-10 deposited with the CCDC.	2020-07-13 downloaded from the CCDC.
;

_vrf_PLAT971_shelx               
;
PROBLEM: Check Calcd Resid. Dens.  1.71A   From O5A             1.83 eA-3  
RESPONSE: When this peak was included as a partially occupied H2O it did not
refine no matter at what occupancy.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H40 Dy N2 O14 Zn2, Cl O4'
_chemical_formula_sum            'C38 H40 Cl Dy N2 O18 Zn2'
_chemical_formula_weight         1141.41

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 2/a'
_space_group_name_Hall           '-I 2ya'

_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'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   15.7454(4)
_cell_length_b                   27.4209(7)
_cell_length_c                   20.2012(5)
_cell_angle_alpha                90
_cell_angle_beta                 99.431(2)
_cell_angle_gamma                90
_cell_volume                     8604.0(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    13244
_cell_measurement_theta_min      2.1330
_cell_measurement_theta_max      31.0680

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.762
_exptl_crystal_F_000             4552
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_absorpt_coefficient_mu    2.965
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.61332
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   'CrysalisPro (Rigaku OD 2015)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   MicroMax003_Mo
_diffrn_measurement_device_type  'Rigaku Saturn724+ CCD (4x4 bin mode)'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26016
_diffrn_reflns_av_unetI/netI     0.0530
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.129
_diffrn_reflns_theta_max         31.142
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.889
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.889
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             12360
_reflns_number_gt                10130
_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       
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_molecular_graphics    'Bruker SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'Bruker SHELXTL (Sheldrick, 2008)'
_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)+(0.0467P)²+22.7494P] 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         12360
_refine_ls_number_parameters     745
_refine_ls_number_restraints     635
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0407
_refine_ls_wR_factor_ref         0.1053
_refine_ls_wR_factor_gt          0.0977
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.019
_refine_ls_shift/su_max          0.003
_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 0.82605(2) 0.93830(2) 0.70031(2) 0.01865(5) Uani 1 1 d . . . . .
Zn2 Zn 0.84204(3) 0.80603(2) 0.70292(2) 0.02213(9) Uani 1 1 d . . . . .
Zn3 Zn 0.79356(3) 1.06903(2) 0.69052(2) 0.02198(9) Uani 1 1 d . . . . .
O11 O 0.82636(16) 0.86474(9) 0.76040(12) 0.0226(5) Uani 1 1 d . . . . .
O12 O 0.77461(17) 0.94305(9) 0.81229(13) 0.0244(5) Uani 1 1 d . . . . .
O13 O 0.83851(19) 0.72624(10) 0.66624(14) 0.0331(6) Uani 1 1 d . . . . .
O31 O 0.86151(15) 1.01617(9) 0.74522(12) 0.0224(5) Uani 1 1 d . . . . .
O32 O 0.96072(16) 0.94422(9) 0.78955(13) 0.0249(5) Uani 1 1 d . . . . .
O33 O 0.76722(19) 1.15217(10) 0.65481(14) 0.0345(6) Uani 1 1 d . . . . .
O51 O 0.83552(17) 0.98576(10) 0.60708(13) 0.0284(6) Uani 1 1 d . . . . .
O52 O 0.84195(17) 1.06653(9) 0.60720(13) 0.0275(6) Uani 1 1 d . . . . .
O53 O 0.69256(16) 0.97241(9) 0.68353(14) 0.0292(6) Uani 1 1 d . . . . .
O54 O 0.67104(16) 1.05149(9) 0.66654(14) 0.0286(6) Uani 1 1 d . . . . .
O55 O 0.75207(18) 0.88697(10) 0.62237(13) 0.0308(6) Uani 1 1 d . . . . .
O56 O 0.73428(16) 0.80750(10) 0.63733(13) 0.0290(6) Uani 1 1 d . . . . .
O57 O 0.93532(16) 0.89927(9) 0.66061(14) 0.0274(6) Uani 1 1 d . . . . .
O58 O 0.93119(16) 0.81878(9) 0.64736(13) 0.0269(5) Uani 1 1 d . . . . .
N11 N 0.8889(2) 0.76516(11) 0.78507(16) 0.0256(6) Uani 1 1 d . . . . .
N31 N 0.7986(2) 1.11194(11) 0.77263(16) 0.0241(6) Uani 1 1 d . . . . .
C11 C 0.8327(2) 0.86514(13) 0.82696(18) 0.0229(7) Uani 1 1 d . . . . .
C12 C 0.8070(2) 0.90726(13) 0.85767(18) 0.0240(7) Uani 1 1 d . . . . .
C13 C 0.8154(3) 0.91237(15) 0.92609(19) 0.0316(8) Uani 1 1 d . . . . .
H13A H 0.797257 0.941481 0.945122 0.038 Uiso 1 1 calc R U . . .
C14 C 0.8509(3) 0.87424(15) 0.9672(2) 0.0378(10) Uani 1 1 d . . . . .
H14A H 0.858910 0.877662 1.014614 0.045 Uiso 1 1 calc R U . . .
C15 C 0.8742(3) 0.83221(15) 0.9395(2) 0.0344(9) Uani 1 1 d . . . . .
H15A H 0.897004 0.806233 0.968073 0.041 Uiso 1 1 calc R U . . .
C16 C 0.8652(2) 0.82597(14) 0.86880(19) 0.0270(8) Uani 1 1 d . . . . .
C17 C 0.8900(2) 0.77930(14) 0.8462(2) 0.0285(8) Uani 1 1 d . . . . .
H17A H 0.909605 0.756063 0.880208 0.034 Uiso 1 1 calc R U . . .
C18 C 0.9170(2) 0.71669(14) 0.7739(2) 0.0290(8) Uani 1 1 d . . . . .
C19 C 0.9715(3) 0.68956(16) 0.8216(3) 0.0399(10) Uani 1 1 d . . . . .
H19A H 0.994783 0.703759 0.863575 0.048 Uiso 1 1 calc R U . . .
C20 C 0.9913(3) 0.64202(19) 0.8077(3) 0.0546(14) Uani 1 1 d . . . . .
H20A H 1.027171 0.623293 0.840651 0.066 Uiso 1 1 calc R U . . .
C21 C 0.9596(4) 0.62149(18) 0.7463(3) 0.0564(15) Uani 1 1 d . . . . .
H21A H 0.972409 0.588453 0.737806 0.068 Uiso 1 1 calc R U . . .
C22 C 0.9092(3) 0.64859(16) 0.6972(3) 0.0454(12) Uani 1 1 d . . . . .
H22A H 0.888982 0.634745 0.654375 0.054 Uiso 1 1 calc R U . . .
C23 C 0.8886(3) 0.69659(14) 0.7112(2) 0.0322(9) Uani 1 1 d . . . . .
C24 C 0.8368(3) 0.71636(17) 0.5959(2) 0.0453(11) Uani 1 1 d . . . . .
H24A H 0.798917 0.739917 0.569029 0.068 Uiso 1 1 calc R U . . .
H24B H 0.895093 0.719189 0.585265 0.068 Uiso 1 1 calc R U . . .
H24C H 0.815047 0.683269 0.585557 0.068 Uiso 1 1 calc R U . . .
C25 C 0.7284(3) 0.98206(15) 0.8383(2) 0.0332(9) Uani 1 1 d . . . . .
H25A H 0.708286 1.005307 0.802299 0.050 Uiso 1 1 calc R U . . .
H25B H 0.678882 0.968661 0.855904 0.050 Uiso 1 1 calc R U . . .
H25C H 0.766643 0.998757 0.874431 0.050 Uiso 1 1 calc R U . . .
C31 C 0.9100(2) 1.02286(13) 0.80559(17) 0.0216(7) Uani 1 1 d . . . . .
C32 C 0.9660(2) 0.98509(13) 0.83044(18) 0.0219(7) Uani 1 1 d . . . . .
C33 C 1.0214(2) 0.98882(14) 0.89104(19) 0.0282(8) Uani 1 1 d . . . . .
H33A H 1.059472 0.962867 0.906489 0.034 Uiso 1 1 calc R U . . .
C34 C 1.0204(3) 1.03124(15) 0.9291(2) 0.0322(9) Uani 1 1 d . . . . .
H34A H 1.058881 1.034498 0.970258 0.039 Uiso 1 1 calc R U . . .
C35 C 0.9640(3) 1.06834(15) 0.90719(19) 0.0300(8) Uani 1 1 d . . . . .
H35A H 0.962848 1.096666 0.934110 0.036 Uiso 1 1 calc R U . . .
C36 C 0.9077(2) 1.06498(13) 0.84535(18) 0.0249(7) Uani 1 1 d . . . . .
C37 C 0.8500(2) 1.10561(13) 0.82827(19) 0.0257(7) Uani 1 1 d . . . . .
H37A H 0.850105 1.130146 0.861485 0.031 Uiso 1 1 calc R U . . .
C38 C 0.7414(2) 1.15269(13) 0.7652(2) 0.0264(8) Uani 1 1 d . . . . .
C39 C 0.6990(3) 1.17026(15) 0.8158(2) 0.0326(9) Uani 1 1 d . . . . .
H39A H 0.708624 1.155656 0.858986 0.039 Uiso 1 1 calc R U . . .
C40 C 0.6426(3) 1.20915(16) 0.8025(2) 0.0393(10) Uani 1 1 d . . . . .
H40A H 0.613221 1.221073 0.836637 0.047 Uiso 1 1 calc R U . . .
C41 C 0.6290(3) 1.23066(16) 0.7399(3) 0.0403(11) Uani 1 1 d . . . . .
H41A H 0.591302 1.257846 0.731766 0.048 Uiso 1 1 calc R U . . .
C42 C 0.6695(3) 1.21316(15) 0.6888(2) 0.0355(9) Uani 1 1 d . . . . .
H42A H 0.659404 1.228046 0.645771 0.043 Uiso 1 1 calc R U . . .
C43 C 0.7245(2) 1.17399(14) 0.7010(2) 0.0294(8) Uani 1 1 d . . . . .
C44 C 0.7625(3) 1.17367(18) 0.5905(2) 0.0434(11) Uani 1 1 d . . . . .
H44A H 0.796006 1.154114 0.563367 0.065 Uiso 1 1 calc R U . . .
H44B H 0.702334 1.174937 0.568419 0.065 Uiso 1 1 calc R U . . .
H44C H 0.786045 1.206806 0.595284 0.065 Uiso 1 1 calc R U . . .
C45 C 1.0234(3) 0.90670(15) 0.8077(2) 0.0344(9) Uani 1 1 d . . . . .
H45A H 1.012965 0.879962 0.775174 0.052 Uiso 1 1 calc R U . . .
H45B H 1.081175 0.920016 0.807746 0.052 Uiso 1 1 calc R U . . .
H45C H 1.018993 0.894418 0.852555 0.052 Uiso 1 1 calc R U . . .
C51 C 0.8476(2) 1.02543(14) 0.57967(18) 0.0238(7) Uani 1 1 d . . . . .
C52 C 0.8698(3) 1.02499(18) 0.5099(2) 0.0386(10) Uani 1 1 d . . . . .
H52A H 0.877264 1.058550 0.495253 0.058 Uiso 1 1 calc R U . . .
H52B H 0.923315 1.006756 0.510039 0.058 Uiso 1 1 calc R U . . .
H52C H 0.823121 1.009362 0.479121 0.058 Uiso 1 1 calc R U . . .
C53 C 0.6448(2) 1.00800(14) 0.66768(17) 0.0225(7) Uani 1 1 d . . . . .
C54 C 0.5496(2) 0.99863(15) 0.6501(2) 0.0331(9) Uani 1 1 d . . . . .
H54A H 0.519438 1.029523 0.638601 0.050 Uiso 1 1 calc R U . . .
H54B H 0.538578 0.976446 0.611575 0.050 Uiso 1 1 calc R U . . .
H54C H 0.528725 0.983822 0.688535 0.050 Uiso 1 1 calc R U . . .
C55 C 0.7154(2) 0.84763(14) 0.60611(19) 0.0260(8) Uani 1 1 d . . . . .
C56 C 0.6454(3) 0.84714(18) 0.5461(2) 0.0432(11) Uani 1 1 d . . . . .
H56A H 0.622171 0.814045 0.539065 0.065 Uiso 1 1 calc R U . . .
H56B H 0.599292 0.869456 0.553725 0.065 Uiso 1 1 calc R U . . .
H56C H 0.668836 0.857612 0.506410 0.065 Uiso 1 1 calc R U . . .
C57 C 0.9581(2) 0.86073(13) 0.63519(18) 0.0221(7) Uani 1 1 d . . . . .
C58 C 1.0224(2) 0.86483(14) 0.5880(2) 0.0270(8) Uani 1 1 d . . . . .
H58A H 1.034576 0.832304 0.571781 0.040 Uiso 1 1 calc R U . . .
H58B H 0.998696 0.885495 0.549830 0.040 Uiso 1 1 calc R U . . .
H58C H 1.075691 0.879353 0.611640 0.040 Uiso 1 1 calc R U . . .
Cl1 Cl 0.7551(5) 1.0587(2) 1.0028(5) 0.0252(10) Uani 0.264(3) 1 d D U P A -1
O1 O 0.7505(8) 1.0866(4) 0.9442(6) 0.033(2) Uani 0.264(3) 1 d D U P A -1
O2 O 0.7910(6) 1.0862(4) 1.0589(6) 0.028(2) Uani 0.264(3) 1 d D U P A -1
O3 O 0.6722(5) 1.0430(3) 1.0106(6) 0.0388(18) Uani 0.264(3) 1 d D U P A -1
O4 O 0.8066(6) 1.0172(3) 0.9978(6) 0.0288(19) Uani 0.264(3) 1 d D U P A -1
Cl1A Cl 0.7468(7) 1.0639(3) 1.0003(6) 0.0264(13) Uani 0.163(3) 1 d D U P B -2
O1A O 0.6786(9) 1.0896(5) 0.9625(8) 0.035(2) Uani 0.163(3) 1 d D U P B -2
O2A O 0.8213(8) 1.0698(5) 0.9714(8) 0.034(2) Uani 0.163(3) 1 d D U P B -2
O3A O 0.7616(13) 1.0812(7) 1.0666(6) 0.028(2) Uani 0.163(3) 1 d D U P B -2
O4A O 0.7260(9) 1.0139(4) 1.0005(10) 0.026(2) Uani 0.163(3) 1 d D U P B -2
Cl2 Cl 1.0868(4) 0.78021(17) 1.0025(3) 0.0364(8) Uani 0.317(3) 1 d D U P C -1
O5 O 1.0343(5) 0.7409(2) 0.9825(4) 0.0404(17) Uani 0.317(3) 1 d D U P C -1
O6 O 1.1721(4) 0.7646(3) 1.0231(5) 0.0544(18) Uani 0.317(3) 1 d D U P C -1
O7 O 1.0854(7) 0.8139(3) 0.9495(4) 0.0491(18) Uani 0.317(3) 1 d D U P C -1
O8 O 1.0594(6) 0.8054(3) 1.0564(4) 0.0462(17) Uani 0.317(3) 1 d D U P C -1
Cl2A Cl 1.0817(9) 0.7846(5) 1.0029(7) 0.0408(13) Uani 0.122(3) 1 d D U P D -2
O5A O 1.1695(10) 0.7970(8) 1.0154(11) 0.044(2) Uani 0.122(3) 1 d D U P D -2
O6A O 1.0486(15) 0.7866(8) 1.0635(8) 0.047(2) Uani 0.122(3) 1 d D U P D -2
O7A O 1.0380(14) 0.8189(7) 0.9577(10) 0.050(2) Uani 0.122(3) 1 d D U P D -2
O8A O 1.0699(14) 0.7380(5) 0.9754(11) 0.039(2) Uani 0.122(3) 1 d D U P D -2
Cl2B Cl 1.0916(8) 0.7689(4) 0.9959(5) 0.0427(14) Uani 0.135(2) 1 d D U P E -3
O5B O 1.1255(12) 0.7985(6) 1.0508(8) 0.046(2) Uani 0.135(2) 1 d D U P E -3
O6B O 1.1492(11) 0.7307(6) 0.9902(9) 0.048(2) Uani 0.135(2) 1 d D U P E -3
O7B O 1.0121(9) 0.7496(6) 1.0057(9) 0.039(2) Uani 0.135(2) 1 d D U P E -3
O8B O 1.0802(14) 0.7968(6) 0.9370(7) 0.045(2) Uani 0.135(2) 1 d D U P E -3


_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 O53 2.275(2) . ?
Dy1 O57 2.281(2) . ?
Dy1 O55 2.284(3) . ?
Dy1 O51 2.314(3) . ?
Dy1 O31 2.351(2) . ?
Dy1 O11 2.354(2) . ?
Dy1 O12 2.528(3) . ?
Dy1 O32 2.553(2) . ?
Zn2 O58 1.967(3) . ?
Zn2 O56 1.975(3) . ?
Zn2 O11 2.024(2) . ?
Zn2 N11 2.038(3) . ?
Zn2 O13 2.308(3) . ?
Zn3 O52 1.959(3) . ?
Zn3 O54 1.970(3) . ?
Zn3 O31 2.020(2) . ?
Zn3 N31 2.025(3) . ?
Zn3 O33 2.407(3) . ?
O11 C11 1.332(4) . ?
O12 C12 1.382(4) . ?
O12 C25 1.440(4) . ?
O13 C23 1.368(5) . ?
O13 C24 1.443(5) . ?
O31 C31 1.341(4) . ?
O32 C32 1.387(4) . ?
O32 C45 1.431(4) . ?
O33 C43 1.374(5) . ?
O33 C44 1.417(5) . ?
O51 C51 1.249(4) . ?
O52 C51 1.266(4) . ?
O53 C53 1.242(4) . ?
O54 C53 1.264(4) . ?
O55 C55 1.242(4) . ?
O56 C55 1.279(5) . ?
O57 C57 1.253(4) . ?
O58 C57 1.264(4) . ?
N11 C17 1.292(5) . ?
N11 C18 1.431(5) . ?
N31 C37 1.285(5) . ?
N31 C38 1.427(5) . ?
C11 C12 1.402(5) . ?
C11 C16 1.410(5) . ?
C12 C13 1.374(5) . ?
C13 C14 1.394(6) . ?
C13 H13A 0.9500 . ?
C14 C15 1.358(6) . ?
C14 H14A 0.9500 . ?
C15 C16 1.422(5) . ?
C15 H15A 0.9500 . ?
C16 C17 1.434(5) . ?
C17 H17A 0.9500 . ?
C18 C23 1.387(6) . ?
C18 C19 1.396(6) . ?
C19 C20 1.380(6) . ?
C19 H19A 0.9500 . ?
C20 C21 1.378(8) . ?
C20 H20A 0.9500 . ?
C21 C22 1.382(7) . ?
C21 H21A 0.9500 . ?
C22 C23 1.396(6) . ?
C22 H22A 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C31 C32 1.400(5) . ?
C31 C36 1.411(5) . ?
C32 C33 1.385(5) . ?
C33 C34 1.395(6) . ?
C33 H33A 0.9500 . ?
C34 C35 1.375(6) . ?
C34 H34A 0.9500 . ?
C35 C36 1.411(5) . ?
C35 H35A 0.9500 . ?
C36 C37 1.443(5) . ?
C37 H37A 0.9500 . ?
C38 C39 1.395(5) . ?
C38 C43 1.407(6) . ?
C39 C40 1.385(6) . ?
C39 H39A 0.9500 . ?
C40 C41 1.379(7) . ?
C40 H40A 0.9500 . ?
C41 C42 1.385(6) . ?
C41 H41A 0.9500 . ?
C42 C43 1.376(5) . ?
C42 H42A 0.9500 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C51 C52 1.506(5) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.505(5) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.498(6) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.504(5) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
Cl1 O1 1.400(5) . ?
Cl1 O2 1.401(5) . ?
Cl1 O3 1.407(5) . ?
Cl1 O4 1.412(5) . ?
Cl1A O1A 1.402(5) . ?
Cl1A O3A 1.403(5) . ?
Cl1A O2A 1.403(5) . ?
Cl1A O4A 1.409(5) . ?
Cl2 O5 1.378(5) . ?
Cl2 O6 1.407(5) . ?
Cl2 O7 1.413(5) . ?
Cl2 O8 1.416(5) . ?
Cl2A O8A 1.394(5) . ?
Cl2A O5A 1.406(5) . ?
Cl2A O6A 1.407(5) . ?
Cl2A O7A 1.409(5) . ?
Cl2B O7B 1.401(5) . ?
Cl2B O6B 1.403(5) . ?
Cl2B O8B 1.403(5) . ?
Cl2B O5B 1.406(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
O53 Dy1 O57 150.75(10) . . ?
O53 Dy1 O55 78.24(10) . . ?
O57 Dy1 O55 78.31(10) . . ?
O53 Dy1 O51 80.13(10) . . ?
O57 Dy1 O51 79.91(10) . . ?
O55 Dy1 O51 83.06(9) . . ?
O53 Dy1 O31 80.75(9) . . ?
O57 Dy1 O31 114.63(9) . . ?
O55 Dy1 O31 152.59(9) . . ?
O51 Dy1 O31 76.14(9) . . ?
O53 Dy1 O11 110.67(9) . . ?
O57 Dy1 O11 80.87(9) . . ?
O55 Dy1 O11 77.60(9) . . ?
O51 Dy1 O11 155.06(9) . . ?
O31 Dy1 O11 126.79(9) . . ?
O53 Dy1 O12 71.85(9) . . ?
O57 Dy1 O12 135.21(9) . . ?
O55 Dy1 O12 116.53(9) . . ?
O51 Dy1 O12 140.55(9) . . ?
O31 Dy1 O12 72.46(8) . . ?
O11 Dy1 O12 63.67(8) . . ?
O53 Dy1 O32 135.99(9) . . ?
O57 Dy1 O32 72.00(9) . . ?
O55 Dy1 O32 142.81(9) . . ?
O51 Dy1 O32 112.46(9) . . ?
O31 Dy1 O32 63.42(8) . . ?
O11 Dy1 O32 76.06(8) . . ?
O12 Dy1 O32 73.48(9) . . ?
O58 Zn2 O56 103.22(11) . . ?
O58 Zn2 O11 110.59(10) . . ?
O56 Zn2 O11 101.34(11) . . ?
O58 Zn2 N11 111.44(12) . . ?
O56 Zn2 N11 135.57(12) . . ?
O11 Zn2 N11 91.84(11) . . ?
O58 Zn2 O13 88.11(10) . . ?
O56 Zn2 O13 80.27(11) . . ?
O11 Zn2 O13 160.00(10) . . ?
N11 Zn2 O13 74.13(11) . . ?
O52 Zn3 O54 106.45(12) . . ?
O52 Zn3 O31 101.50(11) . . ?
O54 Zn3 O31 111.65(11) . . ?
O52 Zn3 N31 139.09(11) . . ?
O54 Zn3 N31 104.38(12) . . ?
O31 Zn3 N31 91.30(11) . . ?
O52 Zn3 O33 81.24(10) . . ?
O54 Zn3 O33 92.52(11) . . ?
O31 Zn3 O33 153.33(10) . . ?
N31 Zn3 O33 71.14(11) . . ?
C11 O11 Zn2 126.1(2) . . ?
C11 O11 Dy1 120.5(2) . . ?
Zn2 O11 Dy1 112.08(11) . . ?
C12 O12 C25 116.0(3) . . ?
C12 O12 Dy1 114.8(2) . . ?
C25 O12 Dy1 128.3(2) . . ?
C23 O13 C24 117.3(3) . . ?
C23 O13 Zn2 111.7(2) . . ?
C24 O13 Zn2 119.3(3) . . ?
C31 O31 Zn3 124.8(2) . . ?
C31 O31 Dy1 122.6(2) . . ?
Zn3 O31 Dy1 111.69(10) . . ?
C32 O32 C45 117.2(3) . . ?
C32 O32 Dy1 115.7(2) . . ?
C45 O32 Dy1 126.4(2) . . ?
C43 O33 C44 118.9(3) . . ?
C43 O33 Zn3 106.8(2) . . ?
C44 O33 Zn3 130.5(3) . . ?
C51 O51 Dy1 152.3(2) . . ?
C51 O52 Zn3 118.3(2) . . ?
C53 O53 Dy1 150.2(2) . . ?
C53 O54 Zn3 122.4(2) . . ?
C55 O55 Dy1 151.6(3) . . ?
C55 O56 Zn2 117.0(2) . . ?
C57 O57 Dy1 145.4(2) . . ?
C57 O58 Zn2 124.5(2) . . ?
C17 N11 C18 118.2(3) . . ?
C17 N11 Zn2 124.1(3) . . ?
C18 N11 Zn2 117.5(2) . . ?
C37 N31 C38 119.6(3) . . ?
C37 N31 Zn3 124.9(3) . . ?
C38 N31 Zn3 115.5(2) . . ?
O11 C11 C12 118.3(3) . . ?
O11 C11 C16 124.0(3) . . ?
C12 C11 C16 117.7(3) . . ?
C13 C12 O12 124.0(3) . . ?
C13 C12 C11 122.8(4) . . ?
O12 C12 C11 113.2(3) . . ?
C12 C13 C14 119.1(4) . . ?
C12 C13 H13A 120.5 . . ?
C14 C13 H13A 120.5 . . ?
C15 C14 C13 120.0(4) . . ?
C15 C14 H14A 120.0 . . ?
C13 C14 H14A 120.0 . . ?
C14 C15 C16 121.8(4) . . ?
C14 C15 H15A 119.1 . . ?
C16 C15 H15A 119.1 . . ?
C11 C16 C15 118.5(4) . . ?
C11 C16 C17 125.5(3) . . ?
C15 C16 C17 116.0(3) . . ?
N11 C17 C16 127.6(3) . . ?
N11 C17 H17A 116.2 . . ?
C16 C17 H17A 116.2 . . ?
C23 C18 C19 119.3(4) . . ?
C23 C18 N11 116.8(3) . . ?
C19 C18 N11 123.9(4) . . ?
C20 C19 C18 119.8(5) . . ?
C20 C19 H19A 120.1 . . ?
C18 C19 H19A 120.1 . . ?
C21 C20 C19 120.6(5) . . ?
C21 C20 H20A 119.7 . . ?
C19 C20 H20A 119.7 . . ?
C20 C21 C22 120.5(5) . . ?
C20 C21 H21A 119.7 . . ?
C22 C21 H21A 119.7 . . ?
C21 C22 C23 119.1(5) . . ?
C21 C22 H22A 120.4 . . ?
C23 C22 H22A 120.4 . . ?
O13 C23 C18 115.8(3) . . ?
O13 C23 C22 123.6(4) . . ?
C18 C23 C22 120.6(4) . . ?
O13 C24 H24A 109.5 . . ?
O13 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O13 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O12 C25 H25A 109.5 . . ?
O12 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O12 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O31 C31 C32 117.2(3) . . ?
O31 C31 C36 124.5(3) . . ?
C32 C31 C36 118.4(3) . . ?
C33 C32 O32 123.6(3) . . ?
C33 C32 C31 122.1(3) . . ?
O32 C32 C31 114.3(3) . . ?
C32 C33 C34 119.1(4) . . ?
C32 C33 H33A 120.5 . . ?
C34 C33 H33A 120.5 . . ?
C35 C34 C33 120.3(4) . . ?
C35 C34 H34A 119.8 . . ?
C33 C34 H34A 119.8 . . ?
C34 C35 C36 121.0(4) . . ?
C34 C35 H35A 119.5 . . ?
C36 C35 H35A 119.5 . . ?
C31 C36 C35 119.1(3) . . ?
C31 C36 C37 124.7(3) . . ?
C35 C36 C37 116.1(3) . . ?
N31 C37 C36 126.5(3) . . ?
N31 C37 H37A 116.7 . . ?
C36 C37 H37A 116.7 . . ?
C39 C38 C43 119.4(4) . . ?
C39 C38 N31 124.3(4) . . ?
C43 C38 N31 116.3(3) . . ?
C40 C39 C38 119.5(4) . . ?
C40 C39 H39A 120.2 . . ?
C38 C39 H39A 120.2 . . ?
C41 C40 C39 120.4(4) . . ?
C41 C40 H40A 119.8 . . ?
C39 C40 H40A 119.8 . . ?
C40 C41 C42 120.9(4) . . ?
C40 C41 H41A 119.6 . . ?
C42 C41 H41A 119.6 . . ?
C43 C42 C41 119.3(4) . . ?
C43 C42 H42A 120.3 . . ?
C41 C42 H42A 120.3 . . ?
O33 C43 C42 125.6(4) . . ?
O33 C43 C38 113.9(3) . . ?
C42 C43 C38 120.5(4) . . ?
O33 C44 H44A 109.5 . . ?
O33 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O33 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O32 C45 H45A 109.5 . . ?
O32 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O32 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O51 C51 O52 123.6(3) . . ?
O51 C51 C52 118.9(4) . . ?
O52 C51 C52 117.5(4) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O53 C53 O54 124.1(3) . . ?
O53 C53 C54 117.7(3) . . ?
O54 C53 C54 118.2(3) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O55 C55 O56 123.8(3) . . ?
O55 C55 C56 118.0(4) . . ?
O56 C55 C56 118.2(4) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
O57 C57 O58 124.1(3) . . ?
O57 C57 C58 117.7(3) . . ?
O58 C57 C58 118.2(3) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O1 Cl1 O2 110.4(4) . . ?
O1 Cl1 O3 109.9(4) . . ?
O2 Cl1 O3 109.5(4) . . ?
O1 Cl1 O4 109.3(4) . . ?
O2 Cl1 O4 109.3(4) . . ?
O3 Cl1 O4 108.4(4) . . ?
O1A Cl1A O3A 110.0(4) . . ?
O1A Cl1A O2A 109.5(4) . . ?
O3A Cl1A O2A 109.8(4) . . ?
O1A Cl1A O4A 109.4(4) . . ?
O3A Cl1A O4A 109.2(4) . . ?
O2A Cl1A O4A 108.9(4) . . ?
O5 Cl2 O6 110.3(4) . . ?
O5 Cl2 O7 110.8(4) . . ?
O6 Cl2 O7 108.6(4) . . ?
O5 Cl2 O8 111.4(4) . . ?
O6 Cl2 O8 108.5(4) . . ?
O7 Cl2 O8 107.2(4) . . ?
O8A Cl2A O5A 110.9(4) . . ?
O8A Cl2A O6A 109.8(4) . . ?
O5A Cl2A O6A 109.1(4) . . ?
O8A Cl2A O7A 109.6(4) . . ?
O5A Cl2A O7A 108.4(4) . . ?
O6A Cl2A O7A 109.0(4) . . ?
O7B Cl2B O6B 109.5(4) . . ?
O7B Cl2B O8B 109.5(4) . . ?
O6B Cl2B O8B 109.3(4) . . ?
O7B Cl2B O5B 109.9(4) . . ?
O6B Cl2B O5B 109.2(4) . . ?
O8B Cl2B O5B 109.5(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
Zn2 O11 C11 C12 -170.4(2) . . . . ?
Dy1 O11 C11 C12 23.7(4) . . . . ?
Zn2 O11 C11 C16 10.8(5) . . . . ?
Dy1 O11 C11 C16 -155.1(3) . . . . ?
C25 O12 C12 C13 -15.7(5) . . . . ?
Dy1 O12 C12 C13 154.4(3) . . . . ?
C25 O12 C12 C11 165.6(3) . . . . ?
Dy1 O12 C12 C11 -24.2(4) . . . . ?
O11 C11 C12 C13 -176.3(3) . . . . ?
C16 C11 C12 C13 2.6(5) . . . . ?
O11 C11 C12 O12 2.3(5) . . . . ?
C16 C11 C12 O12 -178.8(3) . . . . ?
O12 C12 C13 C14 -178.5(4) . . . . ?
C11 C12 C13 C14 0.0(6) . . . . ?
C12 C13 C14 C15 -2.1(7) . . . . ?
C13 C14 C15 C16 1.5(7) . . . . ?
O11 C11 C16 C15 175.7(3) . . . . ?
C12 C11 C16 C15 -3.1(5) . . . . ?
O11 C11 C16 C17 -4.8(6) . . . . ?
C12 C11 C16 C17 176.4(3) . . . . ?
C14 C15 C16 C11 1.1(6) . . . . ?
C14 C15 C16 C17 -178.4(4) . . . . ?
C18 N11 C17 C16 179.7(4) . . . . ?
Zn2 N11 C17 C16 -4.5(6) . . . . ?
C11 C16 C17 N11 1.5(6) . . . . ?
C15 C16 C17 N11 -179.0(4) . . . . ?
C17 N11 C18 C23 158.4(3) . . . . ?
Zn2 N11 C18 C23 -17.7(4) . . . . ?
C17 N11 C18 C19 -22.6(5) . . . . ?
Zn2 N11 C18 C19 161.3(3) . . . . ?
C23 C18 C19 C20 -4.6(6) . . . . ?
N11 C18 C19 C20 176.4(4) . . . . ?
C18 C19 C20 C21 1.7(7) . . . . ?
C19 C20 C21 C22 1.7(8) . . . . ?
C20 C21 C22 C23 -2.1(7) . . . . ?
C24 O13 C23 C18 155.2(4) . . . . ?
Zn2 O13 C23 C18 12.2(4) . . . . ?
C24 O13 C23 C22 -26.3(6) . . . . ?
Zn2 O13 C23 C22 -169.3(3) . . . . ?
C19 C18 C23 O13 -177.2(3) . . . . ?
N11 C18 C23 O13 1.9(5) . . . . ?
C19 C18 C23 C22 4.3(6) . . . . ?
N11 C18 C23 C22 -176.7(4) . . . . ?
C21 C22 C23 O13 -179.3(4) . . . . ?
C21 C22 C23 C18 -0.9(6) . . . . ?
Zn3 O31 C31 C32 -167.5(2) . . . . ?
Dy1 O31 C31 C32 24.2(4) . . . . ?
Zn3 O31 C31 C36 12.9(5) . . . . ?
Dy1 O31 C31 C36 -155.4(3) . . . . ?
C45 O32 C32 C33 -7.8(5) . . . . ?
Dy1 O32 C32 C33 163.1(3) . . . . ?
C45 O32 C32 C31 172.5(3) . . . . ?
Dy1 O32 C32 C31 -16.6(4) . . . . ?
O31 C31 C32 C33 177.5(3) . . . . ?
C36 C31 C32 C33 -2.9(5) . . . . ?
O31 C31 C32 O32 -2.8(4) . . . . ?
C36 C31 C32 O32 176.9(3) . . . . ?
O32 C32 C33 C34 -178.7(3) . . . . ?
C31 C32 C33 C34 1.0(6) . . . . ?
C32 C33 C34 C35 1.3(6) . . . . ?
C33 C34 C35 C36 -1.7(6) . . . . ?
O31 C31 C36 C35 -178.0(3) . . . . ?
C32 C31 C36 C35 2.4(5) . . . . ?
O31 C31 C36 C37 3.3(6) . . . . ?
C32 C31 C36 C37 -176.4(3) . . . . ?
C34 C35 C36 C31 -0.2(6) . . . . ?
C34 C35 C36 C37 178.7(4) . . . . ?
C38 N31 C37 C36 175.9(3) . . . . ?
Zn3 N31 C37 C36 -6.2(5) . . . . ?
C31 C36 C37 N31 -7.0(6) . . . . ?
C35 C36 C37 N31 174.2(4) . . . . ?
C37 N31 C38 C39 -38.4(5) . . . . ?
Zn3 N31 C38 C39 143.5(3) . . . . ?
C37 N31 C38 C43 145.2(4) . . . . ?
Zn3 N31 C38 C43 -32.8(4) . . . . ?
C43 C38 C39 C40 -1.7(6) . . . . ?
N31 C38 C39 C40 -177.9(4) . . . . ?
C38 C39 C40 C41 -0.5(6) . . . . ?
C39 C40 C41 C42 1.6(7) . . . . ?
C40 C41 C42 C43 -0.5(7) . . . . ?
C44 O33 C43 C42 6.6(6) . . . . ?
Zn3 O33 C43 C42 -153.6(3) . . . . ?
C44 O33 C43 C38 -173.3(4) . . . . ?
Zn3 O33 C43 C38 26.5(4) . . . . ?
C41 C42 C43 O33 178.4(4) . . . . ?
C41 C42 C43 C38 -1.8(6) . . . . ?
C39 C38 C43 O33 -177.3(3) . . . . ?
N31 C38 C43 O33 -0.8(5) . . . . ?
C39 C38 C43 C42 2.8(6) . . . . ?
N31 C38 C43 C42 179.4(3) . . . . ?
Dy1 O51 C51 O52 -19.3(7) . . . . ?
Dy1 O51 C51 C52 160.9(4) . . . . ?
Zn3 O52 C51 O51 -10.4(5) . . . . ?
Zn3 O52 C51 C52 169.3(3) . . . . ?
Dy1 O53 C53 O54 -17.7(8) . . . . ?
Dy1 O53 C53 C54 163.5(4) . . . . ?
Zn3 O54 C53 O53 -0.2(5) . . . . ?
Zn3 O54 C53 C54 178.5(3) . . . . ?
Dy1 O55 C55 O56 -27.4(8) . . . . ?
Dy1 O55 C55 C56 153.1(4) . . . . ?
Zn2 O56 C55 O55 -12.5(5) . . . . ?
Zn2 O56 C55 C56 167.0(3) . . . . ?
Dy1 O57 C57 O58 -32.0(6) . . . . ?
Dy1 O57 C57 C58 148.9(3) . . . . ?
Zn2 O58 C57 O57 4.9(5) . . . . ?
Zn2 O58 C57 C58 -176.0(2) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C13 H13A O4 0.95 2.33 3.231(9) 159.1 . yes
C13 H13A O4A 0.95 2.62 3.562(15) 171.1 . yes
C13 H13A O4A 0.95 2.33 3.270(11) 171.5 2_657 yes
C17 H17A O5 0.95 2.64 3.434(9) 141.5 . yes
C19 H19A O5 0.95 2.59 3.531(9) 171.0 . yes
C19 H19A O8A 0.95 2.55 3.498(19) 174.9 . yes
C24 H24A O56 0.98 2.61 3.161(5) 115.4 . yes
C24 H24B O6A 0.98 2.53 3.50(2) 171.4 8_564 yes
C25 H25A O53 0.98 2.54 3.096(5) 116.1 . yes
C25 H25C O3 0.98 2.66 3.606(11) 162.6 2_657 yes
C25 H25C O4 0.98 2.52 3.395(12) 148.6 . yes
C25 H25C O3A 0.98 2.63 3.318(19) 127.6 2_657 yes
C25 H25C O4A 0.98 2.54 3.334(19) 137.6 2_657 yes
C33 H33A O3 0.95 2.52 3.218(10) 129.9 6_675 yes
C33 H33A O1A 0.95 2.49 3.416(16) 166.5 6_675 yes
C37 H37A O5B 0.95 2.63 3.568(12) 171.0 5_777 yes
C39 H39A O1 0.95 2.57 3.460(10) 155.6 . yes
C39 H39A O2 0.95 2.53 3.409(9) 154.8 2_657 yes
C39 H39A O3A 0.95 2.53 3.393(14) 150.6 2_657 yes
C44 H44A O52 0.98 2.62 3.189(5) 117.1 . yes
C44 H44B O6B 0.98 2.26 2.926(16) 124.2 3_454 yes
C44 H44C O6B 0.98 2.24 2.789(14) 114.1 4_656 yes
C45 H45A O57 0.98 2.49 3.073(5) 117.8 . yes
C54 H54A O57 0.98 2.44 3.353(5) 154.8 6_575 yes
C58 H58A O7B 0.98 2.61 3.542(18) 159.7 8_564 yes
C58 H58C O54 0.98 2.56 3.471(4) 155.3 6_675 yes

_refine_diff_density_max         1.807
_refine_diff_density_min         -1.149
_refine_diff_density_rms         0.140

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 1980088'
loop_
_audit_author_name
_audit_author_address
'SHANMUGAM MAHESWARAN'
;Indian Institute of Technology Bombay
India
;
_audit_update_record             
;
2020-07-10 deposited with the CCDC.	2020-07-13 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         
;
C38 H40 Dy N2 O14 Zn2, F6 P, 0.625(C2 H6 O), 0.125(O)
;
_chemical_formula_sum            'C39.25 H43.75 Dy F6 N2 O14.75 P Zn2'
_chemical_formula_weight         1217.72

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'
Dy Dy -0.1892 4.4098 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.01763(14)
_cell_length_b                   20.2520(4)
_cell_length_c                   28.7701(5)
_cell_angle_alpha                86.2916(15)
_cell_angle_beta                 87.5201(15)
_cell_angle_gamma                87.6169(15)
_cell_volume                     4653.81(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    26573
_cell_measurement_theta_min      2.0900
_cell_measurement_theta_max      30.5780

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_F_000             2425
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    2.736
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.60152
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   'CrysalisPro (Rigaku OD 2015)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   MicroMax003_Mo
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            97060
_diffrn_reflns_av_unetI/netI     0.0964
_diffrn_reflns_av_R_equivalents  0.0878
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         2.130
_diffrn_reflns_theta_max         31.216
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.909
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.909
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.909
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             27498
_reflns_number_gt                18466
_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       
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_molecular_graphics    'Bruker SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'Bruker SHELXTL (Sheldrick, 2008)'
_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)+(0.0438P)²+12.4400P] 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         27498
_refine_ls_number_parameters     1347
_refine_ls_number_restraints     1709
_refine_ls_R_factor_all          0.1049
_refine_ls_R_factor_gt           0.0617
_refine_ls_wR_factor_ref         0.1397
_refine_ls_wR_factor_gt          0.1181
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.003
_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 1.00668(3) 0.79604(2) 0.98420(2) 0.01955(6) Uani 1 1 d . . . . .
Dy2 Dy 0.02188(3) 0.29693(2) 0.51802(2) 0.02049(6) Uani 1 1 d . . . . .
Zn1 Zn 0.82562(8) 0.85773(3) 1.09085(2) 0.02226(14) Uani 1 1 d . . . . .
Zn2 Zn 1.21524(8) 0.76702(3) 0.87358(2) 0.02196(13) Uani 1 1 d . . . . .
Zn3 Zn 0.23936(8) 0.29231(3) 0.40614(2) 0.02319(14) Uani 1 1 d . . . . .
Zn4 Zn -0.16837(8) 0.32381(3) 0.63089(2) 0.02362(14) Uani 1 1 d . . . . .
P1 P 0.2404(2) 0.94485(8) 0.64546(6) 0.0391(4) Uani 1 1 d D . . . .
P2 P 0.7320(3) 0.52776(8) 0.84914(6) 0.0446(5) Uani 1 1 d D . . . .
O11 O 1.1304(5) 0.72068(17) 0.93468(13) 0.0248(8) Uani 1 1 d . . . . .
O12 O 1.0791(5) 0.68413(17) 1.02165(12) 0.0248(8) Uani 1 1 d . . . . .
O13 O 1.3480(5) 0.78359(18) 0.79929(13) 0.0276(8) Uani 1 1 d . . . . .
O31 O 0.8068(5) 0.78562(17) 1.04595(12) 0.0237(8) Uani 1 1 d . . . . .
O32 O 0.7654(5) 0.72286(18) 0.97255(13) 0.0263(8) Uani 1 1 d . . . . .
O33 O 0.7500(6) 0.9240(2) 1.15210(14) 0.0375(10) Uani 1 1 d . . . . .
O51 O 1.0607(5) 0.87321(18) 1.10199(13) 0.0271(8) Uani 1 1 d . . . . .
O52 O 1.1711(5) 0.81268(18) 1.04578(13) 0.0273(8) Uani 1 1 d . . . . .
O53 O 1.2256(5) 0.85050(17) 0.94761(13) 0.0258(8) Uani 1 1 d . . . . .
O54 O 1.4108(5) 0.80813(19) 0.89697(13) 0.0282(9) Uani 1 1 d . . . . .
O55 O 0.7320(5) 0.93358(17) 1.05270(13) 0.0245(8) Uani 1 1 d . . . . .
O56 O 0.9180(5) 0.90302(17) 0.99809(13) 0.0249(8) Uani 1 1 d . . . . .
O57 O 0.8914(5) 0.83190(18) 0.91522(13) 0.0263(8) Uani 1 1 d . . . . .
O58 O 1.0533(5) 0.83575(19) 0.85043(13) 0.0291(9) Uani 1 1 d . . . . .
O111 O -0.1853(5) 0.26938(17) 0.57444(12) 0.0222(8) Uani 1 1 d . . . . .
O112 O -0.2120(5) 0.22937(17) 0.49202(12) 0.0250(8) Uani 1 1 d . . . . .
O113 O -0.2669(6) 0.3665(2) 0.70198(15) 0.0422(11) Uani 1 1 d . . . . .
O131 O 0.1497(5) 0.23392(17) 0.46164(12) 0.0237(8) Uani 1 1 d . . . . .
O132 O 0.0910(5) 0.17851(17) 0.54378(13) 0.0261(8) Uani 1 1 d . . . . .
O133 O 0.3839(5) 0.32471(19) 0.33455(14) 0.0329(9) Uani 1 1 d . . . . .
O151 O 0.0753(5) 0.36283(18) 0.38777(14) 0.0297(9) Uani 1 1 d . . . . .
O152 O -0.0838(5) 0.35205(18) 0.45280(13) 0.0274(8) Uani 1 1 d . . . . .
O153 O -0.0663(5) 0.39767(18) 0.54608(14) 0.0285(9) Uani 1 1 d . . . . .
O154 O -0.2544(5) 0.40936(18) 0.60445(14) 0.0302(9) Uani 1 1 d . . . . .
O155 O 0.4334(5) 0.32735(19) 0.43527(14) 0.0294(9) Uani 1 1 d . . . . .
O156 O 0.2477(5) 0.35407(18) 0.49068(14) 0.0276(9) Uani 1 1 d . . . . .
O157 O 0.1768(5) 0.29670(19) 0.58368(13) 0.0298(9) Uani 1 1 d . . . . .
O158 O 0.0623(5) 0.3380(2) 0.64807(14) 0.0323(9) Uani 1 1 d . . . . .
N11 N 1.2115(6) 0.6812(2) 0.84240(16) 0.0246(10) Uani 1 1 d . . . . .
N31 N 0.7335(6) 0.7970(2) 1.14384(15) 0.0251(10) Uani 1 1 d . . . . .
N111 N -0.2623(6) 0.2483(2) 0.67197(15) 0.0257(10) Uani 1 1 d . . . . .
N131 N 0.2392(6) 0.2153(2) 0.36509(16) 0.0254(10) Uani 1 1 d . . . . .
C11 C 1.1575(7) 0.6559(2) 0.94606(19) 0.0234(11) Uani 1 1 d . . . . .
C12 C 1.1315(7) 0.6338(3) 0.99305(19) 0.0252(11) Uani 1 1 d . . . . .
C13 C 1.1563(8) 0.5682(3) 1.0083(2) 0.0300(13) Uani 1 1 d . . . . .
H13A H 1.135937 0.554377 1.040094 0.036 Uiso 1 1 calc R U . . .
C14 C 1.2115(9) 0.5230(3) 0.9764(2) 0.0382(15) Uani 1 1 d . . . . .
H14A H 1.234703 0.478217 0.986744 0.046 Uiso 1 1 calc R U . . .
C15 C 1.2327(8) 0.5422(3) 0.9302(2) 0.0326(13) Uani 1 1 d . . . . .
H15A H 1.265356 0.510000 0.908689 0.039 Uiso 1 1 calc R U . . .
C16 C 1.2075(7) 0.6085(3) 0.9138(2) 0.0274(12) Uani 1 1 d . . . . .
C17 C 1.2213(7) 0.6236(3) 0.8638(2) 0.0274(12) Uani 1 1 d . . . . .
H17A H 1.239414 0.586933 0.844961 0.033 Uiso 1 1 calc R U . . .
C18 C 1.2098(7) 0.6865(3) 0.79282(19) 0.0254(11) Uani 1 1 d . . . . .
C19 C 1.1303(8) 0.6420(3) 0.7673(2) 0.0314(13) Uani 1 1 d . . . . .
H19A H 1.080764 0.604281 0.782563 0.038 Uiso 1 1 calc R U . . .
C20 C 1.1238(8) 0.6534(3) 0.7188(2) 0.0397(15) Uani 1 1 d . . . . .
H20A H 1.072134 0.622751 0.700869 0.048 Uiso 1 1 calc R U . . .
C21 C 1.1929(8) 0.7092(3) 0.6972(2) 0.0379(14) Uani 1 1 d . . . . .
H21A H 1.186223 0.717272 0.664379 0.045 Uiso 1 1 calc R U . . .
C22 C 1.2718(7) 0.7539(3) 0.7225(2) 0.0305(12) Uani 1 1 d . . . . .
H22A H 1.320657 0.791802 0.707319 0.037 Uiso 1 1 calc R U . . .
C23 C 1.2784(7) 0.7424(3) 0.7701(2) 0.0279(12) Uani 1 1 d . . . . .
C24 C 1.3979(9) 0.8473(3) 0.7801(2) 0.0387(15) Uani 1 1 d . . . . .
H24A H 1.438269 0.872676 0.804918 0.058 Uiso 1 1 calc R U . . .
H24B H 1.302154 0.871243 0.765955 0.058 Uiso 1 1 calc R U . . .
H24C H 1.487522 0.841498 0.756247 0.058 Uiso 1 1 calc R U . . .
C25 C 1.0634(8) 0.6648(3) 1.07093(18) 0.0308(13) Uani 1 1 d . . . . .
H25A H 1.027738 0.703434 1.088187 0.046 Uiso 1 1 calc R U . . .
H25B H 1.171621 0.647200 1.081796 0.046 Uiso 1 1 calc R U . . .
H25C H 0.980383 0.630645 1.076150 0.046 Uiso 1 1 calc R U . . .
C31 C 0.7098(7) 0.7341(2) 1.05214(19) 0.0223(10) Uani 1 1 d . . . . .
C32 C 0.6836(7) 0.6980(2) 1.0128(2) 0.0236(11) Uani 1 1 d . . . . .
C33 C 0.5878(7) 0.6426(3) 1.0162(2) 0.0288(12) Uani 1 1 d . . . . .
H33A H 0.568028 0.619882 0.989227 0.035 Uiso 1 1 calc R U . . .
C34 C 0.5207(7) 0.6204(3) 1.0594(2) 0.0327(13) Uani 1 1 d . . . . .
H34A H 0.457036 0.581742 1.061999 0.039 Uiso 1 1 calc R U . . .
C35 C 0.5452(8) 0.6538(3) 1.0981(2) 0.0322(13) Uani 1 1 d . . . . .
H35A H 0.498716 0.637636 1.127425 0.039 Uiso 1 1 calc R U . . .
C36 C 0.6390(7) 0.7122(3) 1.0956(2) 0.0256(11) Uani 1 1 d . . . . .
C37 C 0.6599(7) 0.7424(3) 1.1386(2) 0.0288(12) Uani 1 1 d . . . . .
H37A H 0.615070 0.720058 1.166088 0.035 Uiso 1 1 calc R U . . .
C38 C 0.7488(8) 0.8188(3) 1.1896(2) 0.0324(13) Uani 1 1 d . . . . .
C39 C 0.7590(9) 0.7767(4) 1.2293(2) 0.0476(17) Uani 1 1 d . . . . .
H39A H 0.753777 0.730271 1.227054 0.057 Uiso 1 1 calc R U . . .
C40 C 0.7769(11) 0.8018(4) 1.2724(2) 0.058(2) Uani 1 1 d . . . . .
H40A H 0.781385 0.772626 1.299589 0.070 Uiso 1 1 calc R U . . .
C41 C 0.7879(10) 0.8679(4) 1.2760(2) 0.058(2) Uani 1 1 d . . . . .
H41A H 0.801655 0.884602 1.305658 0.069 Uiso 1 1 calc R U . . .
C42 C 0.7793(10) 0.9120(4) 1.2363(2) 0.0508(18) Uani 1 1 d . . . . .
H42A H 0.785959 0.958325 1.238812 0.061 Uiso 1 1 calc R U . . .
C43 C 0.7609(8) 0.8861(3) 1.1935(2) 0.0331(13) Uani 1 1 d . . . . .
C44 C 0.7857(14) 0.9931(3) 1.1516(3) 0.080(3) Uani 1 1 d . . . . .
H44A H 0.764360 1.014387 1.120724 0.121 Uiso 1 1 calc R U . . .
H44B H 0.903114 0.997640 1.158527 0.121 Uiso 1 1 calc R U . . .
H44C H 0.713903 1.014423 1.175153 0.121 Uiso 1 1 calc R U . . .
C45 C 0.7359(8) 0.6906(3) 0.9303(2) 0.0365(14) Uani 1 1 d . . . . .
H45A H 0.800538 0.711712 0.904177 0.055 Uiso 1 1 calc R U . . .
H45B H 0.616655 0.694708 0.923986 0.055 Uiso 1 1 calc R U . . .
H45C H 0.770421 0.643693 0.934278 0.055 Uiso 1 1 calc R U . . .
C51 C 1.1839(7) 0.8494(3) 1.07957(18) 0.0223(10) Uani 1 1 d . . . . .
C52 C 1.3551(7) 0.8646(3) 1.0934(2) 0.0291(12) Uani 1 1 d . . . . .
H52A H 1.420638 0.880905 1.065764 0.044 Uiso 1 1 calc R U . . .
H52B H 1.410101 0.824300 1.107139 0.044 Uiso 1 1 calc R U . . .
H52C H 1.346750 0.898512 1.116230 0.044 Uiso 1 1 calc R U . . .
C53 C 1.3731(7) 0.8418(3) 0.9319(2) 0.0258(11) Uani 1 1 d . . . . .
C54 C 1.5087(8) 0.8734(4) 0.9545(3) 0.061(2) Uani 1 1 d . . . . .
H54A H 1.616031 0.862138 0.938726 0.092 Uiso 1 1 calc R U . . .
H54B H 1.511020 0.857495 0.987334 0.092 Uiso 1 1 calc R U . . .
H54C H 1.489117 0.921589 0.952258 0.092 Uiso 1 1 calc R U . . .
C55 C 0.8074(6) 0.9424(2) 1.01301(18) 0.0205(10) Uani 1 1 d . . . . .
C56 C 0.7616(7) 1.0042(3) 0.9838(2) 0.0279(12) Uani 1 1 d . . . . .
H56A H 0.640434 1.007174 0.980323 0.042 Uiso 1 1 calc R U . . .
H56B H 0.818294 1.002647 0.953005 0.042 Uiso 1 1 calc R U . . .
H56C H 0.796262 1.042971 0.999055 0.042 Uiso 1 1 calc R U . . .
C57 C 0.9280(7) 0.8546(3) 0.87502(19) 0.0255(11) Uani 1 1 d . . . . .
C58 C 0.8116(9) 0.9071(3) 0.8533(2) 0.0466(18) Uani 1 1 d . . . . .
H58A H 0.852508 0.919424 0.821436 0.070 Uiso 1 1 calc R U . . .
H58B H 0.807015 0.946100 0.871771 0.070 Uiso 1 1 calc R U . . .
H58C H 0.699475 0.889722 0.852460 0.070 Uiso 1 1 calc R U . . .
C111 C -0.2786(7) 0.2176(2) 0.57215(18) 0.0200(10) Uani 1 1 d . . . . .
C112 C -0.2987(7) 0.1943(3) 0.52745(19) 0.0246(11) Uani 1 1 d . . . . .
C113 C -0.3936(7) 0.1401(3) 0.5216(2) 0.0294(12) Uani 1 1 d . . . . .
H11E H -0.409856 0.126560 0.491116 0.035 Uiso 1 1 calc R U . . .
C114 C -0.4648(7) 0.1055(3) 0.5600(2) 0.0318(13) Uani 1 1 d . . . . .
H11D H -0.526200 0.067305 0.555972 0.038 Uiso 1 1 calc R U . . .
C115 C -0.4470(7) 0.1261(3) 0.6039(2) 0.0312(13) Uani 1 1 d . . . . .
H11B H -0.496981 0.102207 0.629994 0.037 Uiso 1 1 calc R U . . .
C116 C -0.3552(7) 0.1824(3) 0.61061(19) 0.0242(11) Uani 1 1 d . . . . .
C117 C -0.3360(7) 0.1984(3) 0.6582(2) 0.0279(12) Uani 1 1 d . . . . .
H11A H -0.382716 0.168871 0.681794 0.034 Uiso 1 1 calc R U . . .
C118 C -0.2450(8) 0.2541(3) 0.7209(2) 0.0321(13) Uani 1 1 d . . . . .
C119 C -0.2172(9) 0.1998(4) 0.7518(2) 0.0456(17) Uani 1 1 d . . . . .
H11C H -0.211013 0.156541 0.740806 0.055 Uiso 1 1 calc R U . . .
C120 C -0.1985(10) 0.2082(5) 0.7985(3) 0.061(2) Uani 1 1 d . . . . .
H12D H -0.181118 0.170863 0.819728 0.073 Uiso 1 1 calc R U . . .
C121 C -0.2054(11) 0.2705(5) 0.8137(3) 0.064(2) Uani 1 1 d . . . . .
H12E H -0.193818 0.276082 0.845912 0.077 Uiso 1 1 calc R U . . .
C122 C -0.2289(9) 0.3267(4) 0.7834(2) 0.0534(19) Uani 1 1 d . . . . .
H12F H -0.231678 0.369916 0.794534 0.064 Uiso 1 1 calc R U . . .
C123 C -0.2479(8) 0.3175(3) 0.7367(2) 0.0377(14) Uani 1 1 d . . . . .
C124 C -0.2459(13) 0.4333(4) 0.7135(3) 0.075(3) Uani 1 1 d . . . . .
H12G H -0.269755 0.463519 0.686450 0.112 Uiso 1 1 calc R U . . .
H12H H -0.130703 0.438179 0.722424 0.112 Uiso 1 1 calc R U . . .
H12I H -0.322977 0.443791 0.739628 0.112 Uiso 1 1 calc R U . . .
C125 C -0.2337(8) 0.2109(3) 0.44485(19) 0.0332(14) Uani 1 1 d . . . . .
H12A H -0.168119 0.239474 0.422905 0.050 Uiso 1 1 calc R U . . .
H12B H -0.352089 0.215961 0.437680 0.050 Uiso 1 1 calc R U . . .
H12C H -0.195548 0.164612 0.442108 0.050 Uiso 1 1 calc R U . . .
C131 C 0.1704(7) 0.1681(2) 0.46549(19) 0.0232(11) Uani 1 1 d . . . . .
C132 C 0.1375(7) 0.1358(3) 0.50958(19) 0.0255(11) Uani 1 1 d . . . . .
C133 C 0.1539(7) 0.0680(3) 0.5170(2) 0.0291(12) Uani 1 1 d . . . . .
H13D H 0.130518 0.047642 0.547144 0.035 Uiso 1 1 calc R U . . .
C134 C 0.2050(8) 0.0294(3) 0.4802(2) 0.0340(14) Uani 1 1 d . . . . .
H13C H 0.218406 -0.017362 0.485154 0.041 Uiso 1 1 calc R U . . .
C135 C 0.2356(8) 0.0594(3) 0.4367(2) 0.0338(14) Uani 1 1 d . . . . .
H13E H 0.268913 0.032820 0.411686 0.041 Uiso 1 1 calc R U . . .
C136 C 0.2191(7) 0.1285(3) 0.4281(2) 0.0282(12) Uani 1 1 d . . . . .
C137 C 0.2415(7) 0.1546(3) 0.3805(2) 0.0283(12) Uani 1 1 d . . . . .
H13B H 0.260147 0.122755 0.357764 0.034 Uiso 1 1 calc R U . . .
C138 C 0.2424(7) 0.2316(3) 0.31631(19) 0.0264(11) Uani 1 1 d . . . . .
C139 C 0.1635(8) 0.1948(3) 0.2852(2) 0.0343(13) Uani 1 1 d . . . . .
H13F H 0.107810 0.155915 0.295998 0.041 Uiso 1 1 calc R U . . .
C140 C 0.1665(9) 0.2154(3) 0.2382(2) 0.0418(15) Uani 1 1 d . . . . .
H14G H 0.114595 0.189993 0.216685 0.050 Uiso 1 1 calc R U . . .
C141 C 0.2438(9) 0.2721(4) 0.2228(2) 0.0450(16) Uani 1 1 d . . . . .
H14F H 0.244581 0.285338 0.190501 0.054 Uiso 1 1 calc R U . . .
C142 C 0.3208(8) 0.3106(3) 0.2527(2) 0.0392(15) Uani 1 1 d . . . . .
H14E H 0.374961 0.349632 0.241455 0.047 Uiso 1 1 calc R U . . .
C143 C 0.3166(7) 0.2904(3) 0.3003(2) 0.0286(12) Uani 1 1 d . . . . .
C144 C 0.4249(9) 0.3921(3) 0.3227(3) 0.0445(17) Uani 1 1 d . . . . .
H14H H 0.456567 0.412704 0.350812 0.067 Uiso 1 1 calc R U . . .
H14I H 0.327727 0.416425 0.309678 0.067 Uiso 1 1 calc R U . . .
H14J H 0.518483 0.393302 0.299670 0.067 Uiso 1 1 calc R U . . .
C145 C 0.0789(8) 0.1500(3) 0.59112(19) 0.0323(14) Uani 1 1 d . . . . .
H14B H 0.055484 0.185263 0.612523 0.049 Uiso 1 1 calc R U . . .
H14C H 0.184653 0.126639 0.598797 0.049 Uiso 1 1 calc R U . . .
H14D H -0.011588 0.118738 0.594140 0.049 Uiso 1 1 calc R U . . .
C151 C -0.0497(7) 0.3802(3) 0.4135(2) 0.0271(12) Uani 1 1 d . . . . .
C152 C -0.1609(9) 0.4374(3) 0.3960(2) 0.0483(19) Uani 1 1 d . . . . .
H15B H -0.115389 0.455652 0.365927 0.072 Uiso 1 1 calc R U . . .
H15C H -0.166128 0.471765 0.418520 0.072 Uiso 1 1 calc R U . . .
H15D H -0.273390 0.421965 0.392126 0.072 Uiso 1 1 calc R U . . .
C153 C -0.1771(7) 0.4308(3) 0.5675(2) 0.0254(11) Uani 1 1 d . . . . .
C154 C -0.2209(8) 0.4996(3) 0.5485(2) 0.0392(15) Uani 1 1 d . . . . .
H15E H -0.232051 0.529272 0.574087 0.059 Uiso 1 1 calc R U . . .
H15F H -0.326839 0.499755 0.532697 0.059 Uiso 1 1 calc R U . . .
H15G H -0.132496 0.514692 0.526190 0.059 Uiso 1 1 calc R U . . .
C155 C 0.3948(7) 0.3492(3) 0.4748(2) 0.0258(11) Uani 1 1 d . . . . .
C156 C 0.5313(8) 0.3717(3) 0.5029(2) 0.0385(15) Uani 1 1 d . . . . .
H15K H 0.629769 0.380689 0.482426 0.058 Uiso 1 1 calc R U . . .
H15L H 0.560146 0.336929 0.526817 0.058 Uiso 1 1 calc R U . . .
H15M H 0.493730 0.412091 0.517822 0.058 Uiso 1 1 calc R U . . .
C157 C 0.1871(7) 0.3247(3) 0.6216(2) 0.0275(12) Uani 1 1 d . . . . .
C158 C 0.3577(8) 0.3435(4) 0.6345(2) 0.0478(18) Uani 1 1 d . . . . .
H15H H 0.442697 0.322219 0.614363 0.072 Uiso 1 1 calc R U . . .
H15I H 0.375689 0.328793 0.667135 0.072 Uiso 1 1 calc R U . . .
H15J H 0.366048 0.391673 0.630548 0.072 Uiso 1 1 calc R U . . .
F11 F 0.1411(10) 0.8791(3) 0.6414(2) 0.056(2) Uani 0.778(19) 1 d D U P A 1
F12 F 0.3988(8) 0.9036(5) 0.6612(3) 0.064(2) Uani 0.778(19) 1 d D U P A 1
F13 F 0.2991(12) 0.9452(5) 0.5926(2) 0.066(3) Uani 0.778(19) 1 d D U P A 1
F14 F 0.0698(10) 0.9871(4) 0.6314(2) 0.064(2) Uani 0.778(19) 1 d D U P A 1
F15 F 0.1693(12) 0.9456(4) 0.69912(18) 0.053(2) Uani 0.778(19) 1 d D U P A 1
F16 F 0.3234(15) 1.0125(3) 0.6506(3) 0.080(3) Uani 0.778(19) 1 d D U P A 1
F21 F 0.680(2) 0.5261(8) 0.9045(3) 0.058(5) Uani 0.489(14) 1 d D U P B 1
F22 F 0.8029(18) 0.4565(4) 0.8554(4) 0.079(4) Uani 0.489(14) 1 d D U P B 1
F23 F 0.8877(12) 0.5628(7) 0.8562(5) 0.071(4) Uani 0.489(14) 1 d D U P B 1
F24 F 0.6245(15) 0.5994(4) 0.8450(4) 0.059(3) Uani 0.489(14) 1 d D U P B 1
F25 F 0.5432(14) 0.4961(6) 0.8441(4) 0.078(4) Uani 0.489(14) 1 d D U P B 1
F26 F 0.751(2) 0.5305(7) 0.7950(3) 0.065(4) Uani 0.489(14) 1 d D U P B 1
F11A F 0.088(3) 0.9034(15) 0.6430(10) 0.078(8) Uani 0.222(19) 1 d D U P A 2
F12A F 0.235(4) 0.9430(13) 0.6998(4) 0.061(7) Uani 0.222(19) 1 d D U P A 2
F13A F 0.364(3) 0.8782(11) 0.6477(10) 0.066(7) Uani 0.222(19) 1 d D U P A 2
F14A F 0.271(4) 0.9456(14) 0.5893(5) 0.061(7) Uani 0.222(19) 1 d D U P A 2
F15A F 0.147(4) 1.0127(9) 0.6400(8) 0.067(7) Uani 0.222(19) 1 d D U P A 2
F16A F 0.417(3) 0.9846(16) 0.6459(9) 0.079(8) Uani 0.222(19) 1 d D U P A 2
F21A F 0.684(2) 0.5265(9) 0.9020(3) 0.078(6) Uani 0.511(14) 1 d D U P B 2
F22A F 0.9132(15) 0.4868(7) 0.8626(4) 0.099(5) Uani 0.511(14) 1 d D U P B 2
F23A F 0.8368(15) 0.5935(5) 0.8526(4) 0.058(3) Uani 0.511(14) 1 d D U P B 2
F24A F 0.5824(12) 0.5678(7) 0.8338(5) 0.087(4) Uani 0.511(14) 1 d D U P B 2
F25A F 0.662(2) 0.4584(5) 0.8438(4) 0.086(5) Uani 0.511(14) 1 d D U P B 2
F26A F 0.8112(19) 0.5267(8) 0.7958(3) 0.066(4) Uani 0.511(14) 1 d D U P B 2
O1S O 0.8280(15) 0.0471(5) 0.6940(4) 0.116(4) Uani 0.75 1 d D U P C 2
H11S H 0.896701 0.031158 0.674473 0.174 Uiso 0.75 1 calc R U P C 2
C11S C 0.7554(18) -0.0009(6) 0.7184(4) 0.089(4) Uani 0.75 1 d D U P C 2
H12J H 0.842838 -0.031294 0.732038 0.107 Uiso 0.75 1 calc R U P C 2
H12K H 0.692605 -0.026247 0.697146 0.107 Uiso 0.75 1 calc R U P C 2
C12S C 0.6446(16) 0.0193(6) 0.7548(4) 0.087(4) Uani 0.75 1 d D U P C 2
H11F H 0.577205 -0.018031 0.766501 0.130 Uiso 0.75 1 calc R U P C 2
H11G H 0.570992 0.055827 0.743053 0.130 Uiso 0.75 1 calc R U P C 2
H11H H 0.708847 0.033971 0.780217 0.130 Uiso 0.75 1 calc R U P C 2
O2S O 0.166(3) 0.4031(10) 0.8086(6) 0.150(6) Uani 0.5 1 d D U P D 1
H2S H 0.102906 0.431491 0.821356 0.225 Uiso 0.5 1 calc R U P D 1
C21S C 0.281(2) 0.4328(12) 0.7828(7) 0.110(7) Uani 0.5 1 d D U P D 1
H21B H 0.375636 0.400737 0.777728 0.132 Uiso 0.5 1 calc R U P D 1
H21C H 0.322470 0.469033 0.800070 0.132 Uiso 0.5 1 calc R U P D 1
C22S C 0.229(2) 0.4595(10) 0.7389(6) 0.089(6) Uani 0.5 1 d D U P D 1
H22B H 0.233781 0.424455 0.716819 0.134 Uiso 0.5 1 calc R U P D 1
H22C H 0.303795 0.494593 0.727341 0.134 Uiso 0.5 1 calc R U P D 1
H22D H 0.114689 0.477830 0.742010 0.134 Uiso 0.5 1 calc R U P D 1
O1W O 0.165(3) 0.3819(11) 0.7385(8) 0.064(6) Uani 0.25 1 d . U P E 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O57 2.288(4) . ?
Dy1 O53 2.292(4) . ?
Dy1 O52 2.304(4) . ?
Dy1 O56 2.306(3) . ?
Dy1 O11 2.319(4) . ?
Dy1 O31 2.346(4) . ?
Dy1 O12 2.503(3) . ?
Dy1 O32 2.532(4) . ?
Dy2 O156 2.273(4) . ?
Dy2 O152 2.296(4) . ?
Dy2 O157 2.305(4) . ?
Dy2 O131 2.308(3) . ?
Dy2 O153 2.315(4) . ?
Dy2 O111 2.331(4) . ?
Dy2 O132 2.511(3) . ?
Dy2 O112 2.533(4) . ?
Zn1 O51 1.966(4) . ?
Zn1 O55 1.971(4) . ?
Zn1 O31 2.026(4) . ?
Zn1 N31 2.029(4) . ?
Zn1 O33 2.328(4) . ?
Zn2 O58 1.967(4) . ?
Zn2 O54 1.969(4) . ?
Zn2 N11 2.008(4) . ?
Zn2 O11 2.042(4) . ?
Zn2 O13 2.357(4) . ?
Zn3 O151 1.964(4) . ?
Zn3 O155 1.977(4) . ?
Zn3 N131 2.016(4) . ?
Zn3 O131 2.047(3) . ?
Zn3 O133 2.387(4) . ?
Zn4 O154 1.958(4) . ?
Zn4 O158 1.972(4) . ?
Zn4 N111 2.022(5) . ?
Zn4 O111 2.033(4) . ?
Zn4 O113 2.364(4) . ?
P1 F11A 1.516(13) . ?
P1 F15A 1.538(12) . ?
P1 F12 1.559(6) . ?
P1 F12A 1.560(13) . ?
P1 F16 1.567(5) . ?
P1 F13 1.573(6) . ?
P1 F11 1.592(5) . ?
P1 F15 1.623(6) . ?
P1 F14A 1.624(13) . ?
P1 F14 1.634(6) . ?
P1 F13A 1.642(12) . ?
P1 F16A 1.661(13) . ?
P2 F24A 1.486(9) . ?
P2 F23 1.488(9) . ?
P2 F22 1.531(7) . ?
P2 F21A 1.551(9) . ?
P2 F25A 1.555(7) . ?
P2 F26 1.556(9) . ?
P2 F23A 1.615(8) . ?
P2 F21 1.628(9) . ?
P2 F26A 1.637(9) . ?
P2 F24 1.656(8) . ?
P2 F25 1.685(8) . ?
P2 F22A 1.690(9) . ?
O11 C11 1.342(6) . ?
O12 C12 1.391(6) . ?
O12 C25 1.448(6) . ?
O13 C23 1.372(7) . ?
O13 C24 1.436(7) . ?
O31 C31 1.326(6) . ?
O32 C32 1.383(6) . ?
O32 C45 1.448(6) . ?
O33 C43 1.380(7) . ?
O33 C44 1.440(8) . ?
O51 C51 1.254(6) . ?
O52 C51 1.271(6) . ?
O53 C53 1.257(6) . ?
O54 C53 1.270(6) . ?
O55 C55 1.274(6) . ?
O56 C55 1.249(6) . ?
O57 C57 1.244(6) . ?
O58 C57 1.264(6) . ?
O111 C111 1.320(6) . ?
O112 C112 1.384(6) . ?
O112 C125 1.451(6) . ?
O113 C123 1.370(8) . ?
O113 C124 1.431(8) . ?
O131 C131 1.335(6) . ?
O132 C132 1.381(6) . ?
O132 C145 1.445(6) . ?
O133 C143 1.384(7) . ?
O133 C144 1.433(7) . ?
O151 C151 1.271(7) . ?
O152 C151 1.257(6) . ?
O153 C153 1.255(6) . ?
O154 C153 1.270(7) . ?
O155 C155 1.268(7) . ?
O156 C155 1.249(7) . ?
O157 C157 1.270(7) . ?
O158 C157 1.261(7) . ?
N11 C17 1.286(7) . ?
N11 C18 1.424(7) . ?
N31 C37 1.295(7) . ?
N31 C38 1.426(7) . ?
N111 C117 1.284(7) . ?
N111 C118 1.433(7) . ?
N131 C137 1.280(7) . ?
N131 C138 1.420(7) . ?
C11 C12 1.406(7) . ?
C11 C16 1.412(7) . ?
C12 C13 1.380(7) . ?
C13 C14 1.383(8) . ?
C13 H13A 0.9500 . ?
C14 C15 1.366(8) . ?
C14 H14A 0.9500 . ?
C15 C16 1.404(7) . ?
C15 H15A 0.9500 . ?
C16 C17 1.451(8) . ?
C17 H17A 0.9500 . ?
C18 C19 1.390(8) . ?
C18 C23 1.390(8) . ?
C19 C20 1.403(8) . ?
C19 H19A 0.9500 . ?
C20 C21 1.380(9) . ?
C20 H20A 0.9500 . ?
C21 C22 1.387(9) . ?
C21 H21A 0.9500 . ?
C22 C23 1.376(8) . ?
C22 H22A 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C31 C36 1.403(7) . ?
C31 C32 1.413(7) . ?
C32 C33 1.382(7) . ?
C33 C34 1.386(8) . ?
C33 H33A 0.9500 . ?
C34 C35 1.366(8) . ?
C34 H34A 0.9500 . ?
C35 C36 1.425(8) . ?
C35 H35A 0.9500 . ?
C36 C37 1.435(8) . ?
C37 H37A 0.9500 . ?
C38 C43 1.382(8) . ?
C38 C39 1.385(9) . ?
C39 C40 1.385(10) . ?
C39 H39A 0.9500 . ?
C40 C41 1.356(11) . ?
C40 H40A 0.9500 . ?
C41 C42 1.404(10) . ?
C41 H41A 0.9500 . ?
C42 C43 1.385(9) . ?
C42 H42A 0.9500 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C51 C52 1.495(8) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.479(8) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.503(7) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.508(8) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C111 C116 1.409(7) . ?
C111 C112 1.416(7) . ?
C112 C113 1.385(7) . ?
C113 C114 1.386(8) . ?
C113 H11E 0.9500 . ?
C114 C115 1.368(8) . ?
C114 H11D 0.9500 . ?
C115 C116 1.412(7) . ?
C115 H11B 0.9500 . ?
C116 C117 1.443(8) . ?
C117 H11A 0.9500 . ?
C118 C119 1.386(9) . ?
C118 C123 1.387(9) . ?
C119 C120 1.379(10) . ?
C119 H11C 0.9500 . ?
C120 C121 1.362(12) . ?
C120 H12D 0.9500 . ?
C121 C122 1.400(11) . ?
C121 H12E 0.9500 . ?
C122 C123 1.385(9) . ?
C122 H12F 0.9500 . ?
C124 H12G 0.9800 . ?
C124 H12H 0.9800 . ?
C124 H12I 0.9800 . ?
C125 H12A 0.9800 . ?
C125 H12B 0.9800 . ?
C125 H12C 0.9800 . ?
C131 C132 1.408(7) . ?
C131 C136 1.415(8) . ?
C132 C133 1.378(7) . ?
C133 C134 1.395(8) . ?
C133 H13D 0.9500 . ?
C134 C135 1.372(8) . ?
C134 H13C 0.9500 . ?
C135 C136 1.405(8) . ?
C135 H13E 0.9500 . ?
C136 C137 1.443(8) . ?
C137 H13B 0.9500 . ?
C138 C139 1.389(8) . ?
C138 C143 1.396(8) . ?
C139 C140 1.388(8) . ?
C139 H13F 0.9500 . ?
C140 C141 1.367(10) . ?
C140 H14G 0.9500 . ?
C141 C142 1.380(10) . ?
C141 H14F 0.9500 . ?
C142 C143 1.401(8) . ?
C142 H14E 0.9500 . ?
C144 H14H 0.9800 . ?
C144 H14I 0.9800 . ?
C144 H14J 0.9800 . ?
C145 H14B 0.9800 . ?
C145 H14C 0.9800 . ?
C145 H14D 0.9800 . ?
C151 C152 1.506(8) . ?
C152 H15B 0.9800 . ?
C152 H15C 0.9800 . ?
C152 H15D 0.9800 . ?
C153 C154 1.495(7) . ?
C154 H15E 0.9800 . ?
C154 H15F 0.9800 . ?
C154 H15G 0.9800 . ?
C155 C156 1.491(8) . ?
C156 H15K 0.9800 . ?
C156 H15L 0.9800 . ?
C156 H15M 0.9800 . ?
C157 C158 1.503(8) . ?
C158 H15H 0.9800 . ?
C158 H15I 0.9800 . ?
C158 H15J 0.9800 . ?
O1S C11S 1.304(13) . ?
O1S H11S 0.8400 . ?
C11S C12S 1.413(4) . ?
C11S H12J 0.9900 . ?
C11S H12K 0.9900 . ?
C12S H11F 0.9800 . ?
C12S H11G 0.9800 . ?
C12S H11H 0.9800 . ?
O2S C21S 1.303(13) . ?
O2S H2S 0.8400 . ?
C21S C22S 1.413(4) . ?
C21S H21B 0.9900 . ?
C21S H21C 0.9900 . ?
C22S H22B 0.9800 . ?
C22S H22C 0.9800 . ?
C22S H22D 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
O57 Dy1 O53 79.25(14) . . ?
O57 Dy1 O52 150.92(14) . . ?
O53 Dy1 O52 78.16(14) . . ?
O57 Dy1 O56 77.76(14) . . ?
O53 Dy1 O56 81.40(13) . . ?
O52 Dy1 O56 80.96(14) . . ?
O57 Dy1 O11 79.24(13) . . ?
O53 Dy1 O11 75.40(13) . . ?
O52 Dy1 O11 112.12(14) . . ?
O56 Dy1 O11 149.87(13) . . ?
O57 Dy1 O31 112.57(14) . . ?
O53 Dy1 O31 149.96(13) . . ?
O52 Dy1 O31 80.17(14) . . ?
O56 Dy1 O31 74.84(13) . . ?
O11 Dy1 O31 132.67(12) . . ?
O57 Dy1 O12 133.85(13) . . ?
O53 Dy1 O12 115.48(13) . . ?
O52 Dy1 O12 73.23(13) . . ?
O56 Dy1 O12 144.58(13) . . ?
O11 Dy1 O12 64.67(12) . . ?
O31 Dy1 O12 77.17(12) . . ?
O57 Dy1 O32 72.63(13) . . ?
O53 Dy1 O32 144.65(13) . . ?
O52 Dy1 O32 134.62(13) . . ?
O56 Dy1 O32 112.23(13) . . ?
O11 Dy1 O32 78.64(13) . . ?
O31 Dy1 O32 63.58(12) . . ?
O12 Dy1 O32 72.84(13) . . ?
O156 Dy2 O152 79.37(14) . . ?
O156 Dy2 O157 78.28(15) . . ?
O152 Dy2 O157 149.86(14) . . ?
O156 Dy2 O131 74.64(13) . . ?
O152 Dy2 O131 80.68(13) . . ?
O157 Dy2 O131 112.20(14) . . ?
O156 Dy2 O153 83.35(13) . . ?
O152 Dy2 O153 78.11(14) . . ?
O157 Dy2 O153 79.44(14) . . ?
O131 Dy2 O153 151.82(13) . . ?
O156 Dy2 O111 152.93(13) . . ?
O152 Dy2 O111 112.62(13) . . ?
O157 Dy2 O111 80.80(14) . . ?
O131 Dy2 O111 129.85(12) . . ?
O153 Dy2 O111 76.06(12) . . ?
O156 Dy2 O132 113.67(13) . . ?
O152 Dy2 O132 136.11(13) . . ?
O157 Dy2 O132 72.21(13) . . ?
O131 Dy2 O132 64.67(12) . . ?
O153 Dy2 O132 142.33(13) . . ?
O111 Dy2 O132 75.35(12) . . ?
O156 Dy2 O112 142.42(13) . . ?
O152 Dy2 O112 72.82(13) . . ?
O157 Dy2 O112 135.54(13) . . ?
O131 Dy2 O112 76.32(13) . . ?
O153 Dy2 O112 114.18(13) . . ?
O111 Dy2 O112 63.79(12) . . ?
O132 Dy2 O112 73.41(13) . . ?
O51 Zn1 O55 109.03(16) . . ?
O51 Zn1 O31 111.14(16) . . ?
O55 Zn1 O31 99.40(15) . . ?
O51 Zn1 N31 108.63(18) . . ?
O55 Zn1 N31 134.30(18) . . ?
O31 Zn1 N31 90.28(16) . . ?
O51 Zn1 O33 88.27(16) . . ?
O55 Zn1 O33 83.07(15) . . ?
O31 Zn1 O33 158.00(16) . . ?
N31 Zn1 O33 73.14(16) . . ?
O58 Zn2 O54 110.19(17) . . ?
O58 Zn2 N11 114.61(18) . . ?
O54 Zn2 N11 127.32(18) . . ?
O58 Zn2 O11 111.35(16) . . ?
O54 Zn2 O11 98.52(16) . . ?
N11 Zn2 O11 89.92(16) . . ?
O58 Zn2 O13 84.62(15) . . ?
O54 Zn2 O13 85.63(15) . . ?
N11 Zn2 O13 72.71(16) . . ?
O11 Zn2 O13 160.47(14) . . ?
O151 Zn3 O155 111.98(17) . . ?
O151 Zn3 N131 112.34(18) . . ?
O155 Zn3 N131 127.34(18) . . ?
O151 Zn3 O131 111.16(16) . . ?
O155 Zn3 O131 98.90(16) . . ?
N131 Zn3 O131 90.40(16) . . ?
O151 Zn3 O133 84.97(15) . . ?
O155 Zn3 O133 84.36(15) . . ?
N131 Zn3 O133 72.69(16) . . ?
O131 Zn3 O133 160.43(14) . . ?
O154 Zn4 O158 106.02(17) . . ?
O154 Zn4 N111 135.90(18) . . ?
O158 Zn4 N111 109.36(18) . . ?
O154 Zn4 O111 99.16(16) . . ?
O158 Zn4 O111 114.37(16) . . ?
N111 Zn4 O111 89.52(16) . . ?
O154 Zn4 O113 83.08(16) . . ?
O158 Zn4 O113 89.18(17) . . ?
N111 Zn4 O113 72.09(17) . . ?
O111 Zn4 O113 154.26(16) . . ?
F11A P1 F15A 96.4(10) . . ?
F11A P1 F12A 94.6(10) . . ?
F15A P1 F12A 94.3(9) . . ?
F12 P1 F16 93.0(4) . . ?
F12 P1 F13 92.5(4) . . ?
F16 P1 F13 91.2(4) . . ?
F12 P1 F11 91.1(4) . . ?
F16 P1 F11 175.1(4) . . ?
F13 P1 F11 91.2(4) . . ?
F12 P1 F15 90.5(4) . . ?
F16 P1 F15 89.6(4) . . ?
F13 P1 F15 176.8(5) . . ?
F11 P1 F15 87.8(4) . . ?
F11A P1 F14A 90.8(10) . . ?
F15A P1 F14A 89.8(9) . . ?
F12A P1 F14A 172.8(12) . . ?
F12 P1 F14 177.2(4) . . ?
F16 P1 F14 87.7(4) . . ?
F13 P1 F14 90.2(4) . . ?
F11 P1 F14 88.0(4) . . ?
F15 P1 F14 86.8(4) . . ?
F11A P1 F13A 91.3(8) . . ?
F15A P1 F13A 171.3(11) . . ?
F12A P1 F13A 89.1(9) . . ?
F14A P1 F13A 86.1(9) . . ?
F11A P1 F16A 174.7(10) . . ?
F15A P1 F16A 88.1(8) . . ?
F12A P1 F16A 87.8(9) . . ?
F14A P1 F16A 86.4(9) . . ?
F13A P1 F16A 84.0(8) . . ?
F23 P2 F22 98.3(6) . . ?
F24A P2 F21A 95.7(8) . . ?
F24A P2 F25A 97.2(6) . . ?
F21A P2 F25A 93.1(7) . . ?
F23 P2 F26 95.8(7) . . ?
F22 P2 F26 94.1(6) . . ?
F24A P2 F23A 91.5(6) . . ?
F21A P2 F23A 91.1(7) . . ?
F25A P2 F23A 169.9(6) . . ?
F23 P2 F21 91.8(7) . . ?
F22 P2 F21 89.8(6) . . ?
F26 P2 F21 170.9(8) . . ?
F24A P2 F26A 92.2(6) . . ?
F21A P2 F26A 171.5(9) . . ?
F25A P2 F26A 89.0(6) . . ?
F23A P2 F26A 85.6(6) . . ?
F23 P2 F24 90.5(5) . . ?
F22 P2 F24 170.3(6) . . ?
F26 P2 F24 88.9(6) . . ?
F21 P2 F24 85.9(6) . . ?
F23 P2 F25 172.9(6) . . ?
F22 P2 F25 87.7(5) . . ?
F26 P2 F25 87.5(6) . . ?
F21 P2 F25 84.4(6) . . ?
F24 P2 F25 83.3(5) . . ?
F24A P2 F22A 174.4(6) . . ?
F21A P2 F22A 88.5(7) . . ?
F25A P2 F22A 86.2(6) . . ?
F23A P2 F22A 84.7(5) . . ?
F26A P2 F22A 83.4(6) . . ?
C11 O11 Zn2 123.8(3) . . ?
C11 O11 Dy1 124.7(3) . . ?
Zn2 O11 Dy1 111.20(15) . . ?
C12 O12 C25 115.4(4) . . ?
C12 O12 Dy1 118.3(3) . . ?
C25 O12 Dy1 126.2(3) . . ?
C23 O13 C24 117.9(4) . . ?
C23 O13 Zn2 107.7(3) . . ?
C24 O13 Zn2 123.1(3) . . ?
C31 O31 Zn1 126.0(3) . . ?
C31 O31 Dy1 122.4(3) . . ?
Zn1 O31 Dy1 111.20(15) . . ?
C32 O32 C45 116.3(4) . . ?
C32 O32 Dy1 115.7(3) . . ?
C45 O32 Dy1 125.6(3) . . ?
C43 O33 C44 118.5(5) . . ?
C43 O33 Zn1 108.8(3) . . ?
C44 O33 Zn1 123.3(4) . . ?
C51 O51 Zn1 125.1(4) . . ?
C51 O52 Dy1 142.4(4) . . ?
C53 O53 Dy1 142.6(3) . . ?
C53 O54 Zn2 112.3(3) . . ?
C55 O55 Zn1 113.2(3) . . ?
C55 O56 Dy1 149.4(3) . . ?
C57 O57 Dy1 142.4(4) . . ?
C57 O58 Zn2 122.1(3) . . ?
C111 O111 Zn4 125.9(3) . . ?
C111 O111 Dy2 122.5(3) . . ?
Zn4 O111 Dy2 110.58(15) . . ?
C112 O112 C125 116.9(4) . . ?
C112 O112 Dy2 115.2(3) . . ?
C125 O112 Dy2 125.8(3) . . ?
C123 O113 C124 117.6(5) . . ?
C123 O113 Zn4 108.1(4) . . ?
C124 O113 Zn4 123.7(4) . . ?
C131 O131 Zn3 124.0(3) . . ?
C131 O131 Dy2 124.6(3) . . ?
Zn3 O131 Dy2 111.31(15) . . ?
C132 O132 C145 116.7(4) . . ?
C132 O132 Dy2 117.4(3) . . ?
C145 O132 Dy2 125.9(3) . . ?
C143 O133 C144 117.3(5) . . ?
C143 O133 Zn3 106.7(3) . . ?
C144 O133 Zn3 121.9(4) . . ?
C151 O151 Zn3 123.8(4) . . ?
C151 O152 Dy2 145.8(4) . . ?
C153 O153 Dy2 148.1(4) . . ?
C153 O154 Zn4 114.7(3) . . ?
C155 O155 Zn3 112.2(4) . . ?
C155 O156 Dy2 145.0(3) . . ?
C157 O157 Dy2 142.6(4) . . ?
C157 O158 Zn4 122.3(4) . . ?
C17 N11 C18 119.4(5) . . ?
C17 N11 Zn2 124.5(4) . . ?
C18 N11 Zn2 115.9(3) . . ?
C37 N31 C38 119.4(5) . . ?
C37 N31 Zn1 124.8(4) . . ?
C38 N31 Zn1 115.8(4) . . ?
C117 N111 C118 119.3(5) . . ?
C117 N111 Zn4 126.3(4) . . ?
C118 N111 Zn4 114.4(4) . . ?
C137 N131 C138 119.9(5) . . ?
C137 N131 Zn3 124.0(4) . . ?
C138 N131 Zn3 116.1(3) . . ?
O11 C11 C12 117.7(5) . . ?
O11 C11 C16 124.3(5) . . ?
C12 C11 C16 118.0(5) . . ?
C13 C12 O12 124.5(5) . . ?
C13 C12 C11 122.1(5) . . ?
O12 C12 C11 113.3(4) . . ?
C12 C13 C14 119.0(5) . . ?
C12 C13 H13A 120.5 . . ?
C14 C13 H13A 120.5 . . ?
C15 C14 C13 120.6(5) . . ?
C15 C14 H14A 119.7 . . ?
C13 C14 H14A 119.7 . . ?
C14 C15 C16 121.5(5) . . ?
C14 C15 H15A 119.2 . . ?
C16 C15 H15A 119.2 . . ?
C15 C16 C11 118.8(5) . . ?
C15 C16 C17 117.6(5) . . ?
C11 C16 C17 123.4(5) . . ?
N11 C17 C16 126.8(5) . . ?
N11 C17 H17A 116.6 . . ?
C16 C17 H17A 116.6 . . ?
C19 C18 C23 119.6(5) . . ?
C19 C18 N11 122.9(5) . . ?
C23 C18 N11 117.2(5) . . ?
C18 C19 C20 119.4(6) . . ?
C18 C19 H19A 120.3 . . ?
C20 C19 H19A 120.3 . . ?
C21 C20 C19 119.7(6) . . ?
C21 C20 H20A 120.2 . . ?
C19 C20 H20A 120.2 . . ?
C20 C21 C22 121.0(6) . . ?
C20 C21 H21A 119.5 . . ?
C22 C21 H21A 119.5 . . ?
C23 C22 C21 119.0(6) . . ?
C23 C22 H22A 120.5 . . ?
C21 C22 H22A 120.5 . . ?
O13 C23 C22 124.7(5) . . ?
O13 C23 C18 114.1(5) . . ?
C22 C23 C18 121.2(6) . . ?
O13 C24 H24A 109.5 . . ?
O13 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O13 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O12 C25 H25A 109.5 . . ?
O12 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O12 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O31 C31 C36 123.6(5) . . ?
O31 C31 C32 117.4(5) . . ?
C36 C31 C32 119.0(5) . . ?
C33 C32 O32 125.2(5) . . ?
C33 C32 C31 121.4(5) . . ?
O32 C32 C31 113.4(4) . . ?
C32 C33 C34 119.4(5) . . ?
C32 C33 H33A 120.3 . . ?
C34 C33 H33A 120.3 . . ?
C35 C34 C33 120.6(5) . . ?
C35 C34 H34A 119.7 . . ?
C33 C34 H34A 119.7 . . ?
C34 C35 C36 121.4(5) . . ?
C34 C35 H35A 119.3 . . ?
C36 C35 H35A 119.3 . . ?
C31 C36 C35 118.2(5) . . ?
C31 C36 C37 125.1(5) . . ?
C35 C36 C37 116.7(5) . . ?
N31 C37 C36 126.8(5) . . ?
N31 C37 H37A 116.6 . . ?
C36 C37 H37A 116.6 . . ?
C43 C38 C39 118.8(6) . . ?
C43 C38 N31 117.1(5) . . ?
C39 C38 N31 124.1(6) . . ?
C40 C39 C38 120.5(7) . . ?
C40 C39 H39A 119.7 . . ?
C38 C39 H39A 119.7 . . ?
C41 C40 C39 120.3(7) . . ?
C41 C40 H40A 119.9 . . ?
C39 C40 H40A 119.9 . . ?
C40 C41 C42 120.7(7) . . ?
C40 C41 H41A 119.6 . . ?
C42 C41 H41A 119.6 . . ?
C43 C42 C41 118.3(7) . . ?
C43 C42 H42A 120.9 . . ?
C41 C42 H42A 120.9 . . ?
O33 C43 C38 114.6(5) . . ?
O33 C43 C42 123.9(6) . . ?
C38 C43 C42 121.4(6) . . ?
O33 C44 H44A 109.5 . . ?
O33 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O33 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O32 C45 H45A 109.5 . . ?
O32 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O32 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O51 C51 O52 123.5(5) . . ?
O51 C51 C52 118.3(5) . . ?
O52 C51 C52 118.2(5) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O53 C53 O54 123.0(5) . . ?
O53 C53 C54 118.6(5) . . ?
O54 C53 C54 118.3(5) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O56 C55 O55 123.1(5) . . ?
O56 C55 C56 119.4(5) . . ?
O55 C55 C56 117.5(5) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
O57 C57 O58 124.9(5) . . ?
O57 C57 C58 117.8(5) . . ?
O58 C57 C58 117.3(5) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O111 C111 C116 125.4(5) . . ?
O111 C111 C112 117.2(5) . . ?
C116 C111 C112 117.4(5) . . ?
O112 C112 C113 125.0(5) . . ?
O112 C112 C111 113.6(5) . . ?
C113 C112 C111 121.4(5) . . ?
C112 C113 C114 120.0(6) . . ?
C112 C113 H11E 120.0 . . ?
C114 C113 H11E 120.0 . . ?
C115 C114 C113 120.3(5) . . ?
C115 C114 H11D 119.8 . . ?
C113 C114 H11D 119.8 . . ?
C114 C115 C116 120.6(5) . . ?
C114 C115 H11B 119.7 . . ?
C116 C115 H11B 119.7 . . ?
C111 C116 C115 120.1(5) . . ?
C111 C116 C117 123.1(5) . . ?
C115 C116 C117 116.7(5) . . ?
N111 C117 C116 126.8(5) . . ?
N111 C117 H11A 116.6 . . ?
C116 C117 H11A 116.6 . . ?
C119 C118 C123 119.8(6) . . ?
C119 C118 N111 122.7(6) . . ?
C123 C118 N111 117.4(5) . . ?
C120 C119 C118 120.5(7) . . ?
C120 C119 H11C 119.8 . . ?
C118 C119 H11C 119.8 . . ?
C121 C120 C119 119.1(8) . . ?
C121 C120 H12D 120.4 . . ?
C119 C120 H12D 120.4 . . ?
C120 C121 C122 122.1(7) . . ?
C120 C121 H12E 118.9 . . ?
C122 C121 H12E 118.9 . . ?
C123 C122 C121 118.0(7) . . ?
C123 C122 H12F 121.0 . . ?
C121 C122 H12F 121.0 . . ?
O113 C123 C122 126.0(6) . . ?
O113 C123 C118 113.6(5) . . ?
C122 C123 C118 120.4(7) . . ?
O113 C124 H12G 109.5 . . ?
O113 C124 H12H 109.5 . . ?
H12G C124 H12H 109.5 . . ?
O113 C124 H12I 109.5 . . ?
H12G C124 H12I 109.5 . . ?
H12H C124 H12I 109.5 . . ?
O112 C125 H12A 109.5 . . ?
O112 C125 H12B 109.5 . . ?
H12A C125 H12B 109.5 . . ?
O112 C125 H12C 109.5 . . ?
H12A C125 H12C 109.5 . . ?
H12B C125 H12C 109.5 . . ?
O131 C131 C132 117.6(5) . . ?
O131 C131 C136 124.5(5) . . ?
C132 C131 C136 117.9(5) . . ?
C133 C132 O132 124.3(5) . . ?
C133 C132 C131 122.0(5) . . ?
O132 C132 C131 113.7(4) . . ?
C132 C133 C134 119.8(5) . . ?
C132 C133 H13D 120.1 . . ?
C134 C133 H13D 120.1 . . ?
C135 C134 C133 119.4(5) . . ?
C135 C134 H13C 120.3 . . ?
C133 C134 H13C 120.3 . . ?
C134 C135 C136 122.0(6) . . ?
C134 C135 H13E 119.0 . . ?
C136 C135 H13E 119.0 . . ?
C135 C136 C131 118.9(5) . . ?
C135 C136 C137 117.5(5) . . ?
C131 C136 C137 123.4(5) . . ?
N131 C137 C136 128.0(5) . . ?
N131 C137 H13B 116.0 . . ?
C136 C137 H13B 116.0 . . ?
C139 C138 C143 119.5(5) . . ?
C139 C138 N131 122.9(5) . . ?
C143 C138 N131 117.3(5) . . ?
C140 C139 C138 119.5(6) . . ?
C140 C139 H13F 120.2 . . ?
C138 C139 H13F 120.2 . . ?
C141 C140 C139 120.2(6) . . ?
C141 C140 H14G 119.9 . . ?
C139 C140 H14G 119.9 . . ?
C140 C141 C142 122.0(6) . . ?
C140 C141 H14F 119.0 . . ?
C142 C141 H14F 119.0 . . ?
C141 C142 C143 118.0(6) . . ?
C141 C142 H14E 121.0 . . ?
C143 C142 H14E 121.0 . . ?
O133 C143 C138 114.7(5) . . ?
O133 C143 C142 124.6(6) . . ?
C138 C143 C142 120.7(6) . . ?
O133 C144 H14H 109.5 . . ?
O133 C144 H14I 109.5 . . ?
H14H C144 H14I 109.5 . . ?
O133 C144 H14J 109.5 . . ?
H14H C144 H14J 109.5 . . ?
H14I C144 H14J 109.5 . . ?
O132 C145 H14B 109.5 . . ?
O132 C145 H14C 109.5 . . ?
H14B C145 H14C 109.5 . . ?
O132 C145 H14D 109.5 . . ?
H14B C145 H14D 109.5 . . ?
H14C C145 H14D 109.5 . . ?
O152 C151 O151 123.1(5) . . ?
O152 C151 C152 118.8(5) . . ?
O151 C151 C152 118.1(5) . . ?
C151 C152 H15B 109.5 . . ?
C151 C152 H15C 109.5 . . ?
H15B C152 H15C 109.5 . . ?
C151 C152 H15D 109.5 . . ?
H15B C152 H15D 109.5 . . ?
H15C C152 H15D 109.5 . . ?
O153 C153 O154 123.7(5) . . ?
O153 C153 C154 118.4(5) . . ?
O154 C153 C154 117.9(5) . . ?
C153 C154 H15E 109.5 . . ?
C153 C154 H15F 109.5 . . ?
H15E C154 H15F 109.5 . . ?
C153 C154 H15G 109.5 . . ?
H15E C154 H15G 109.5 . . ?
H15F C154 H15G 109.5 . . ?
O156 C155 O155 123.0(5) . . ?
O156 C155 C156 118.7(5) . . ?
O155 C155 C156 118.3(5) . . ?
C155 C156 H15K 109.5 . . ?
C155 C156 H15L 109.5 . . ?
H15K C156 H15L 109.5 . . ?
C155 C156 H15M 109.5 . . ?
H15K C156 H15M 109.5 . . ?
H15L C156 H15M 109.5 . . ?
O158 C157 O157 123.3(5) . . ?
O158 C157 C158 119.4(5) . . ?
O157 C157 C158 117.2(5) . . ?
C157 C158 H15H 109.5 . . ?
C157 C158 H15I 109.5 . . ?
H15H C158 H15I 109.5 . . ?
C157 C158 H15J 109.5 . . ?
H15H C158 H15J 109.5 . . ?
H15I C158 H15J 109.5 . . ?
C11S O1S H11S 109.5 . . ?
O1S C11S C12S 115.1(10) . . ?
O1S C11S H12J 108.5 . . ?
C12S C11S H12J 108.5 . . ?
O1S C11S H12K 108.5 . . ?
C12S C11S H12K 108.5 . . ?
H12J C11S H12K 107.5 . . ?
C11S C12S H11F 109.5 . . ?
C11S C12S H11G 109.5 . . ?
H11F C12S H11G 109.5 . . ?
C11S C12S H11H 109.5 . . ?
H11F C12S H11H 109.5 . . ?
H11G C12S H11H 109.5 . . ?
C21S O2S H2S 109.5 . . ?
O2S C21S C22S 115.0(11) . . ?
O2S C21S H21B 108.5 . . ?
C22S C21S H21B 108.5 . . ?
O2S C21S H21C 108.5 . . ?
C22S C21S H21C 108.5 . . ?
H21B C21S H21C 107.5 . . ?
C21S C22S H22B 109.5 . . ?
C21S C22S H22C 109.5 . . ?
H22B C22S H22C 109.5 . . ?
C21S C22S H22D 109.5 . . ?
H22B C22S H22D 109.5 . . ?
H22C C22S H22D 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zn2 O11 C11 C12 163.8(4) . . . . ?
Dy1 O11 C11 C12 -9.6(7) . . . . ?
Zn2 O11 C11 C16 -17.4(8) . . . . ?
Dy1 O11 C11 C16 169.3(4) . . . . ?
C25 O12 C12 C13 4.8(8) . . . . ?
Dy1 O12 C12 C13 -172.0(5) . . . . ?
C25 O12 C12 C11 -175.3(5) . . . . ?
Dy1 O12 C12 C11 7.9(6) . . . . ?
O11 C11 C12 C13 -179.8(5) . . . . ?
C16 C11 C12 C13 1.3(9) . . . . ?
O11 C11 C12 O12 0.2(7) . . . . ?
C16 C11 C12 O12 -178.7(5) . . . . ?
O12 C12 C13 C14 -178.9(6) . . . . ?
C11 C12 C13 C14 1.2(9) . . . . ?
C12 C13 C14 C15 -3.3(10) . . . . ?
C13 C14 C15 C16 3.1(10) . . . . ?
C14 C15 C16 C11 -0.6(10) . . . . ?
C14 C15 C16 C17 -175.7(6) . . . . ?
O11 C11 C16 C15 179.6(5) . . . . ?
C12 C11 C16 C15 -1.5(9) . . . . ?
O11 C11 C16 C17 -5.6(9) . . . . ?
C12 C11 C16 C17 173.2(5) . . . . ?
C18 N11 C17 C16 -173.2(6) . . . . ?
Zn2 N11 C17 C16 11.5(9) . . . . ?
C15 C16 C17 N11 -176.0(6) . . . . ?
C11 C16 C17 N11 9.2(10) . . . . ?
C17 N11 C18 C19 36.3(8) . . . . ?
Zn2 N11 C18 C19 -148.1(5) . . . . ?
C17 N11 C18 C23 -149.6(5) . . . . ?
Zn2 N11 C18 C23 26.0(6) . . . . ?
C23 C18 C19 C20 1.5(9) . . . . ?
N11 C18 C19 C20 175.4(5) . . . . ?
C18 C19 C20 C21 -1.5(9) . . . . ?
C19 C20 C21 C22 1.3(10) . . . . ?
C20 C21 C22 C23 -1.1(9) . . . . ?
C24 O13 C23 C22 8.6(8) . . . . ?
Zn2 O13 C23 C22 153.6(5) . . . . ?
C24 O13 C23 C18 -170.4(5) . . . . ?
Zn2 O13 C23 C18 -25.4(5) . . . . ?
C21 C22 C23 O13 -177.9(5) . . . . ?
C21 C22 C23 C18 1.0(9) . . . . ?
C19 C18 C23 O13 177.8(5) . . . . ?
N11 C18 C23 O13 3.5(7) . . . . ?
C19 C18 C23 C22 -1.3(9) . . . . ?
N11 C18 C23 C22 -175.5(5) . . . . ?
Zn1 O31 C31 C36 -17.5(7) . . . . ?
Dy1 O31 C31 C36 154.2(4) . . . . ?
Zn1 O31 C31 C32 165.4(4) . . . . ?
Dy1 O31 C31 C32 -22.9(6) . . . . ?
C45 O32 C32 C33 5.1(8) . . . . ?
Dy1 O32 C32 C33 -158.5(5) . . . . ?
C45 O32 C32 C31 -176.4(5) . . . . ?
Dy1 O32 C32 C31 20.0(6) . . . . ?
O31 C31 C32 C33 178.4(5) . . . . ?
C36 C31 C32 C33 1.1(8) . . . . ?
O31 C31 C32 O32 -0.1(7) . . . . ?
C36 C31 C32 O32 -177.4(5) . . . . ?
O32 C32 C33 C34 176.0(5) . . . . ?
C31 C32 C33 C34 -2.3(9) . . . . ?
C32 C33 C34 C35 1.6(9) . . . . ?
C33 C34 C35 C36 0.4(9) . . . . ?
O31 C31 C36 C35 -176.3(5) . . . . ?
C32 C31 C36 C35 0.8(8) . . . . ?
O31 C31 C36 C37 0.6(9) . . . . ?
C32 C31 C36 C37 177.7(5) . . . . ?
C34 C35 C36 C31 -1.6(9) . . . . ?
C34 C35 C36 C37 -178.7(6) . . . . ?
C38 N31 C37 C36 -177.7(6) . . . . ?
Zn1 N31 C37 C36 4.5(9) . . . . ?
C31 C36 C37 N31 6.4(10) . . . . ?
C35 C36 C37 N31 -176.6(6) . . . . ?
C37 N31 C38 C43 -153.6(6) . . . . ?
Zn1 N31 C38 C43 24.5(7) . . . . ?
C37 N31 C38 C39 29.2(9) . . . . ?
Zn1 N31 C38 C39 -152.7(6) . . . . ?
C43 C38 C39 C40 1.6(11) . . . . ?
N31 C38 C39 C40 178.7(7) . . . . ?
C38 C39 C40 C41 -1.4(13) . . . . ?
C39 C40 C41 C42 0.8(13) . . . . ?
C40 C41 C42 C43 -0.6(12) . . . . ?
C44 O33 C43 C38 -171.0(7) . . . . ?
Zn1 O33 C43 C38 -23.4(6) . . . . ?
C44 O33 C43 C42 10.2(10) . . . . ?
Zn1 O33 C43 C42 157.8(6) . . . . ?
C39 C38 C43 O33 179.7(6) . . . . ?
N31 C38 C43 O33 2.4(8) . . . . ?
C39 C38 C43 C42 -1.4(10) . . . . ?
N31 C38 C43 C42 -178.7(6) . . . . ?
C41 C42 C43 O33 179.6(7) . . . . ?
C41 C42 C43 C38 0.9(11) . . . . ?
Zn1 O51 C51 O52 1.4(7) . . . . ?
Zn1 O51 C51 C52 -178.4(3) . . . . ?
Dy1 O52 C51 O51 34.2(9) . . . . ?
Dy1 O52 C51 C52 -146.0(5) . . . . ?
Dy1 O53 C53 O54 67.2(9) . . . . ?
Dy1 O53 C53 C54 -114.2(7) . . . . ?
Zn2 O54 C53 O53 -3.9(7) . . . . ?
Zn2 O54 C53 C54 177.6(5) . . . . ?
Dy1 O56 C55 O55 49.1(10) . . . . ?
Dy1 O56 C55 C56 -132.4(6) . . . . ?
Zn1 O55 C55 O56 6.8(6) . . . . ?
Zn1 O55 C55 C56 -171.9(4) . . . . ?
Dy1 O57 C57 O58 39.7(9) . . . . ?
Dy1 O57 C57 C58 -142.3(5) . . . . ?
Zn2 O58 C57 O57 -1.3(8) . . . . ?
Zn2 O58 C57 C58 -179.3(4) . . . . ?
Zn4 O111 C111 C116 -14.1(7) . . . . ?
Dy2 O111 C111 C116 153.4(4) . . . . ?
Zn4 O111 C111 C112 168.0(4) . . . . ?
Dy2 O111 C111 C112 -24.5(6) . . . . ?
C125 O112 C112 C113 5.1(8) . . . . ?
Dy2 O112 C112 C113 -159.4(5) . . . . ?
C125 O112 C112 C111 -176.6(5) . . . . ?
Dy2 O112 C112 C111 18.8(6) . . . . ?
O111 C111 C112 O112 1.4(7) . . . . ?
C116 C111 C112 O112 -176.6(5) . . . . ?
O111 C111 C112 C113 179.7(5) . . . . ?
C116 C111 C112 C113 1.7(8) . . . . ?
O112 C112 C113 C114 175.0(5) . . . . ?
C111 C112 C113 C114 -3.1(9) . . . . ?
C112 C113 C114 C115 2.4(9) . . . . ?
C113 C114 C115 C116 -0.4(9) . . . . ?
O111 C111 C116 C115 -177.6(5) . . . . ?
C112 C111 C116 C115 0.3(8) . . . . ?
O111 C111 C116 C117 -1.9(9) . . . . ?
C112 C111 C116 C117 176.0(5) . . . . ?
C114 C115 C116 C111 -0.9(9) . . . . ?
C114 C115 C116 C117 -176.9(5) . . . . ?
C118 N111 C117 C116 -175.8(5) . . . . ?
Zn4 N111 C117 C116 5.7(9) . . . . ?
C111 C116 C117 N111 6.5(9) . . . . ?
C115 C116 C117 N111 -177.6(6) . . . . ?
C117 N111 C118 C119 35.8(9) . . . . ?
Zn4 N111 C118 C119 -145.6(5) . . . . ?
C117 N111 C118 C123 -147.7(6) . . . . ?
Zn4 N111 C118 C123 31.0(7) . . . . ?
C123 C118 C119 C120 2.4(11) . . . . ?
N111 C118 C119 C120 178.8(6) . . . . ?
C118 C119 C120 C121 -0.9(12) . . . . ?
C119 C120 C121 C122 -0.8(13) . . . . ?
C120 C121 C122 C123 0.9(13) . . . . ?
C124 O113 C123 C122 7.9(11) . . . . ?
Zn4 O113 C123 C122 153.9(6) . . . . ?
C124 O113 C123 C118 -170.7(7) . . . . ?
Zn4 O113 C123 C118 -24.7(7) . . . . ?
C121 C122 C123 O113 -177.9(7) . . . . ?
C121 C122 C123 C118 0.6(11) . . . . ?
C119 C118 C123 O113 176.5(6) . . . . ?
N111 C118 C123 O113 -0.2(8) . . . . ?
C119 C118 C123 C122 -2.2(10) . . . . ?
N111 C118 C123 C122 -178.9(6) . . . . ?
Zn3 O131 C131 C132 165.4(4) . . . . ?
Dy2 O131 C131 C132 -11.1(7) . . . . ?
Zn3 O131 C131 C136 -16.1(8) . . . . ?
Dy2 O131 C131 C136 167.4(4) . . . . ?
C145 O132 C132 C133 7.7(8) . . . . ?
Dy2 O132 C132 C133 -169.4(5) . . . . ?
C145 O132 C132 C131 -171.3(5) . . . . ?
Dy2 O132 C132 C131 11.6(6) . . . . ?
O131 C131 C132 C133 179.5(5) . . . . ?
C136 C131 C132 C133 0.9(9) . . . . ?
O131 C131 C132 O132 -1.5(7) . . . . ?
C136 C131 C132 O132 179.9(5) . . . . ?
O132 C132 C133 C134 -178.7(6) . . . . ?
C131 C132 C133 C134 0.2(9) . . . . ?
C132 C133 C134 C135 -1.1(10) . . . . ?
C133 C134 C135 C136 0.8(10) . . . . ?
C134 C135 C136 C131 0.3(10) . . . . ?
C134 C135 C136 C137 -175.2(6) . . . . ?
O131 C131 C136 C135 -179.6(5) . . . . ?
C132 C131 C136 C135 -1.2(9) . . . . ?
O131 C131 C136 C137 -4.4(9) . . . . ?
C132 C131 C136 C137 174.1(5) . . . . ?
C138 N131 C137 C136 -172.0(6) . . . . ?
Zn3 N131 C137 C136 10.3(9) . . . . ?
C135 C136 C137 N131 -176.8(6) . . . . ?
C131 C136 C137 N131 7.9(10) . . . . ?
C137 N131 C138 C139 35.2(8) . . . . ?
Zn3 N131 C138 C139 -146.9(5) . . . . ?
C137 N131 C138 C143 -150.5(5) . . . . ?
Zn3 N131 C138 C143 27.5(6) . . . . ?
C143 C138 C139 C140 3.1(9) . . . . ?
N131 C138 C139 C140 177.4(5) . . . . ?
C138 C139 C140 C141 -1.2(9) . . . . ?
C139 C140 C141 C142 0.0(10) . . . . ?
C140 C141 C142 C143 -0.6(10) . . . . ?
C144 O133 C143 C138 -165.2(5) . . . . ?
Zn3 O133 C143 C138 -24.3(5) . . . . ?
C144 O133 C143 C142 15.3(8) . . . . ?
Zn3 O133 C143 C142 156.3(5) . . . . ?
C139 C138 C143 O133 176.8(5) . . . . ?
N131 C138 C143 O133 2.2(7) . . . . ?
C139 C138 C143 C142 -3.8(8) . . . . ?
N131 C138 C143 C142 -178.4(5) . . . . ?
C141 C142 C143 O133 -178.1(6) . . . . ?
C141 C142 C143 C138 2.5(9) . . . . ?
Dy2 O152 C151 O151 31.4(10) . . . . ?
Dy2 O152 C151 C152 -148.2(5) . . . . ?
Zn3 O151 C151 O152 -2.6(8) . . . . ?
Zn3 O151 C151 C152 177.0(4) . . . . ?
Dy2 O153 C153 O154 42.7(10) . . . . ?
Dy2 O153 C153 C154 -137.3(6) . . . . ?
Zn4 O154 C153 O153 7.6(7) . . . . ?
Zn4 O154 C153 C154 -172.4(4) . . . . ?
Dy2 O156 C155 O155 67.8(9) . . . . ?
Dy2 O156 C155 C156 -113.7(7) . . . . ?
Zn3 O155 C155 O156 -7.0(7) . . . . ?
Zn3 O155 C155 C156 174.6(4) . . . . ?
Zn4 O158 C157 O157 -5.5(8) . . . . ?
Zn4 O158 C157 C158 173.4(4) . . . . ?
Dy2 O157 C157 O158 43.4(9) . . . . ?
Dy2 O157 C157 C158 -135.6(6) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C22 H22A F12 0.95 2.63 3.571(10) 169.4 1_655 yes
C22 H22A F13A 0.95 2.40 3.29(2) 157.5 1_655 yes
C24 H24B F15 0.98 2.60 3.494(10) 151.6 1_655 yes
C24 H24B F12A 0.98 2.38 3.20(2) 140.7 1_655 yes
C25 H25A O31 0.98 2.66 3.197(7) 114.9 . yes
C39 H39A O1W 0.95 2.49 3.32(2) 146.2 2_667 yes
C44 H44A O55 0.98 2.66 3.213(8) 116.2 . yes
C45 H45A O57 0.98 2.61 3.165(7) 115.9 . yes
C54 H54A O57 0.98 2.35 3.317(8) 169.3 1_655 yes
C56 H56C O56 0.98 2.59 3.324(7) 132.1 2_777 yes
C122 H12F F22 0.95 2.59 3.475(13) 155.4 1_455 yes
C122 H12F F25A 0.95 2.46 3.343(13) 154.7 1_455 yes
C124 H12H O1W 0.98 2.63 3.50(3) 148.0 . yes
C124 H12I F26 0.98 2.55 3.156(14) 119.9 1_455 yes
C125 H12A O152 0.98 2.61 3.173(7) 116.4 . yes
C125 H12C F11 0.98 2.63 3.216(9) 118.8 2_566 yes
C125 H12C F14A 0.98 2.57 3.41(3) 143.7 2_566 yes
C133 H13D F14A 0.95 2.57 3.26(3) 130.1 1_545 yes
C139 H13F F11A 0.95 2.58 3.43(2) 149.0 2_566 yes
C142 H14E F24 0.95 2.63 3.275(11) 125.4 2_666 yes
C145 H14B O157 0.98 2.57 3.096(7) 113.7 . yes
C145 H14C F15A 0.98 2.55 3.073(15) 113.5 1_545 yes
C156 H15K O152 0.98 2.47 3.368(7) 151.5 1_655 yes
O1S H11S F15A 0.84 2.23 3.02(3) 156.0 1_645 yes
O2S H2S F22 0.84 2.60 3.32(2) 144.6 1_455 yes
C21S H21C F25 0.99 2.32 3.17(2) 142.2 . yes

_refine_diff_density_max         1.982
_refine_diff_density_min         -1.899
_refine_diff_density_rms         0.210

