# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_h250
_database_code_depnum_ccdc_archive 'CCDC 929546'
_audit_update_record             
;
2014-09-09 deposited with the CCDC.
2015-10-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H36 Cl3 Dy N4 O10 Zn2'
_chemical_formula_sum            'C44 H36 Cl3 Dy N4 O10 Zn2'
_chemical_formula_weight         1180.40

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc '

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

_cell_length_a                   16.203(3)
_cell_length_b                   22.757(5)
_cell_length_c                   14.315(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.77(3)
_cell_angle_gamma                90.00
_cell_volume                     5104.0(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2307
_exptl_absorpt_coefficient_mu    2.590
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.5308
_exptl_absorpt_correction_T_max  0.6254
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23835
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_av_sigmaI/netI    0.0527
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         27.48
_reflns_number_total             5794
_reflns_number_gt                4766
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0419P)²+10.0029P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5794
_refine_ls_number_parameters     299
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0402
_refine_ls_wR_factor_ref         0.0976
_refine_ls_wR_factor_gt          0.0922
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.063
_refine_ls_shift/su_mean         0.001

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.0000 0.334314(11) 0.2500 0.03103(9) Uani 1 2 d S . .
Zn1 Zn 0.07370(3) 0.31759(2) 0.03701(3) 0.03510(12) Uani 1 1 d . . .
Cl1 Cl 0.02984(7) 0.24573(6) -0.07197(9) 0.0532(3) Uani 1 1 d . . .
Cl2 Cl 0.0000 0.45274(6) 0.2500 0.0452(4) Uani 1 2 d S . .
C1 C 0.0660(5) 0.2020(3) 0.3973(6) 0.099(3) Uani 1 1 d . . .
H1A H 0.1101 0.1728 0.4140 0.149 Uiso 1 1 calc R . .
H1B H 0.0124 0.1833 0.3688 0.149 Uiso 1 1 calc R . .
H1C H 0.0623 0.2228 0.4545 0.149 Uiso 1 1 calc R . .
C2 C 0.3083(3) 0.2022(3) 0.3372(4) 0.0637(15) Uani 1 1 d . . .
H2A H 0.3542 0.1807 0.3736 0.076 Uiso 1 1 calc R . .
C3 C 0.3165(3) 0.2313(2) 0.2569(4) 0.0555(13) Uani 1 1 d . . .
H3A H 0.3683 0.2301 0.2400 0.067 Uiso 1 1 calc R . .
C4 C 0.2323(3) 0.2040(2) 0.3657(4) 0.0589(14) Uani 1 1 d . . .
H4A H 0.2274 0.1847 0.4213 0.071 Uiso 1 1 calc R . .
C5 C 0.2458(4) 0.4235(2) -0.1759(4) 0.0610(14) Uani 1 1 d . . .
H5A H 0.2536 0.4448 -0.2284 0.073 Uiso 1 1 calc R . .
C6 C -0.2155(4) 0.3968(2) 0.1951(5) 0.0666(16) Uani 1 1 d . . .
H6A H -0.2662 0.4092 0.1484 0.100 Uiso 1 1 calc R . .
H6B H -0.1913 0.4296 0.2349 0.100 Uiso 1 1 calc R . .
H6C H -0.2297 0.3664 0.2348 0.100 Uiso 1 1 calc R . .
C7 C 0.1679(3) 0.4251(2) -0.1525(3) 0.0519(12) Uani 1 1 d . . .
H7A H 0.1234 0.4478 -0.1887 0.062 Uiso 1 1 calc R . .
C8 C -0.2099(3) 0.4452(2) 0.0159(3) 0.0476(11) Uani 1 1 d . . .
H8A H -0.2607 0.4497 0.0341 0.057 Uiso 1 1 calc R . .
C9 C 0.3112(3) 0.3904(2) -0.1217(4) 0.0600(14) Uani 1 1 d . . .
H9A H 0.3636 0.3905 -0.1371 0.072 Uiso 1 1 calc R . .
C10 C 0.2624(3) 0.2956(2) 0.1173(3) 0.0417(10) Uani 1 1 d . . .
H10A H 0.3176 0.2955 0.1094 0.050 Uiso 1 1 calc R . .
C11 C 0.1698(3) 0.26501(18) 0.2260(3) 0.0355(9) Uani 1 1 d . . .
C12 C 0.1568(3) 0.39232(19) -0.0743(3) 0.0395(9) Uani 1 1 d . . .
C14 C -0.1498(3) 0.40650(19) 0.0648(3) 0.0380(9) Uani 1 1 d . . .
C15 C 0.3017(3) 0.3572(2) -0.0450(4) 0.0499(11) Uani 1 1 d . . .
H15A H 0.3468 0.3346 -0.0097 0.060 Uiso 1 1 calc R . .
C16 C 0.2235(3) 0.3576(2) -0.0207(3) 0.0415(10) Uani 1 1 d . . .
C17 C 0.2469(3) 0.2634(2) 0.1986(3) 0.0408(10) Uani 1 1 d . . .
C18 C 0.1646(3) 0.2352(2) 0.3099(3) 0.0422(10) Uani 1 1 d . . .
C19 C -0.0739(2) 0.39575(17) 0.0360(3) 0.0336(8) Uani 1 1 d . . .
C20 C -0.1961(3) 0.4779(2) -0.0604(3) 0.0525(12) Uani 1 1 d . . .
H20A H -0.2376 0.5039 -0.0939 0.063 Uiso 1 1 calc R . .
C21 C 0.0199(3) 0.42895(19) -0.0707(3) 0.0379(9) Uani 1 1 d . . .
H21A H 0.0282 0.4584 -0.1125 0.046 Uiso 1 1 calc R . .
C22 C -0.0587(3) 0.43028(19) -0.0403(3) 0.0366(9) Uani 1 1 d . . .
C23 C -0.1206(3) 0.4715(2) -0.0861(3) 0.0456(11) Uani 1 1 d . . .
H23A H -0.1100 0.4950 -0.1349 0.055 Uiso 1 1 calc R . .
N1 N 0.2058(2) 0.32404(15) 0.0559(2) 0.0363(7) Uani 1 1 d . . .
N2 N 0.0791(2) 0.39043(15) -0.0446(2) 0.0369(8) Uani 1 1 d . . .
O1 O 0.10106(17) 0.29549(13) 0.18005(19) 0.0378(6) Uani 1 1 d . . .
O2 O -0.02051(17) 0.35622(12) 0.08560(19) 0.0363(6) Uani 1 1 d . . .
O3 O 0.0856(2) 0.24207(13) 0.3305(2) 0.0476(8) Uani 1 1 d . . .
O4 O -0.15444(19) 0.37465(13) 0.1460(2) 0.0438(7) Uani 1 1 d . . .
O1W O 0.0451(14) 0.1130(11) 0.755(2) 0.281(12) Uani 0.50 1 d PU . .
O2W O 0.025(4) 0.009(3) 0.441(4) 0.60(4) Uani 0.50 1 d PU . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.302(3) . ?
Dy1 O1 2.302(3) 2 ?
Dy1 O2 2.345(3) 2 ?
Dy1 O2 2.345(3) . ?
Dy1 O3 2.616(3) 2 ?
Dy1 O3 2.616(3) . ?
Dy1 Cl2 2.6950(16) . ?
Dy1 O4 2.724(3) 2 ?
Dy1 O4 2.724(3) . ?
Dy1 Zn1 3.5670(9) 2 ?
Dy1 Zn1 3.5670(9) . ?
Zn1 O2 2.032(3) . ?
Zn1 N2 2.043(3) . ?
Zn1 O1 2.044(3) . ?
Zn1 N1 2.092(3) . ?
Zn1 Cl1 2.2467(13) . ?
C1 O3 1.415(6) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.363(7) . ?
C2 C4 1.392(7) . ?
C2 H2A 0.9300 . ?
C3 C17 1.424(6) . ?
C3 H3A 0.9300 . ?
C4 C18 1.378(6) . ?
C4 H4A 0.9300 . ?
C5 C9 1.368(7) . ?
C5 C7 1.386(7) . ?
C5 H5A 0.9300 . ?
C6 O4 1.443(5) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C12 1.395(6) . ?
C7 H7A 0.9300 . ?
C8 C14 1.366(6) . ?
C8 C20 1.386(7) . ?
C8 H8A 0.9300 . ?
C9 C15 1.373(7) . ?
C9 H9A 0.9300 . ?
C10 N1 1.273(5) . ?
C10 C17 1.450(6) . ?
C10 H10A 0.9300 . ?
C11 O1 1.334(5) . ?
C11 C18 1.401(6) . ?
C11 C17 1.401(6) . ?
C12 C16 1.401(6) . ?
C12 N2 1.427(5) . ?
C14 O4 1.388(5) . ?
C14 C19 1.415(6) . ?
C15 C16 1.396(6) . ?
C15 H15A 0.9300 . ?
C16 N1 1.424(5) . ?
C18 O3 1.394(5) . ?
C19 O2 1.322(5) . ?
C19 C22 1.417(6) . ?
C20 C23 1.373(6) . ?
C20 H20A 0.9300 . ?
C21 N2 1.283(5) . ?
C21 C22 1.448(6) . ?
C21 H21A 0.9300 . ?
C22 C23 1.407(6) . ?
C23 H23A 0.9300 . ?
O1W O1W 1.43(4) 2_556 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O1 134.87(15) . 2 ?
O1 Dy1 O2 125.70(10) . 2 ?
O1 Dy1 O2 65.14(9) 2 2 ?
O1 Dy1 O2 65.14(9) . . ?
O1 Dy1 O2 125.70(10) 2 . ?
O2 Dy1 O2 155.46(14) 2 . ?
O1 Dy1 O3 81.76(10) . 2 ?
O1 Dy1 O3 61.80(9) 2 2 ?
O2 Dy1 O3 122.42(10) 2 2 ?
O2 Dy1 O3 78.76(10) . 2 ?
O1 Dy1 O3 61.80(9) . . ?
O1 Dy1 O3 81.76(10) 2 . ?
O2 Dy1 O3 78.76(10) 2 . ?
O2 Dy1 O3 122.42(10) . . ?
O3 Dy1 O3 73.27(15) 2 . ?
O1 Dy1 Cl2 112.57(7) . . ?
O1 Dy1 Cl2 112.57(7) 2 . ?
O2 Dy1 Cl2 77.73(7) 2 . ?
O2 Dy1 Cl2 77.73(7) . . ?
O3 Dy1 Cl2 143.37(7) 2 . ?
O3 Dy1 Cl2 143.37(8) . . ?
O1 Dy1 O4 73.18(9) . 2 ?
O1 Dy1 O4 123.22(9) 2 2 ?
O2 Dy1 O4 60.31(9) 2 2 ?
O2 Dy1 O4 110.61(10) . 2 ?
O3 Dy1 O4 145.20(10) 2 2 ?
O3 Dy1 O4 73.72(10) . 2 ?
Cl2 Dy1 O4 70.31(7) . 2 ?
O1 Dy1 O4 123.22(9) . . ?
O1 Dy1 O4 73.18(9) 2 . ?
O2 Dy1 O4 110.61(10) 2 . ?
O2 Dy1 O4 60.31(9) . . ?
O3 Dy1 O4 73.72(10) 2 . ?
O3 Dy1 O4 145.20(10) . . ?
Cl2 Dy1 O4 70.31(7) . . ?
O4 Dy1 O4 140.61(13) 2 . ?
O1 Dy1 Zn1 139.56(7) . 2 ?
O1 Dy1 Zn1 32.55(7) 2 2 ?
O2 Dy1 Zn1 32.59(6) 2 2 ?
O2 Dy1 Zn1 152.61(7) . 2 ?
O3 Dy1 Zn1 92.02(7) 2 2 ?
O3 Dy1 Zn1 78.08(7) . 2 ?
Cl2 Dy1 Zn1 96.124(9) . 2 ?
O4 Dy1 Zn1 91.73(7) 2 2 ?
O4 Dy1 Zn1 92.39(6) . 2 ?
O1 Dy1 Zn1 32.55(7) . . ?
O1 Dy1 Zn1 139.56(7) 2 . ?
O2 Dy1 Zn1 152.61(7) 2 . ?
O2 Dy1 Zn1 32.59(6) . . ?
O3 Dy1 Zn1 78.08(7) 2 . ?
O3 Dy1 Zn1 92.02(7) . . ?
Cl2 Dy1 Zn1 96.124(9) . . ?
O4 Dy1 Zn1 92.39(6) 2 . ?
O4 Dy1 Zn1 91.73(7) . . ?
Zn1 Dy1 Zn1 167.752(18) 2 . ?
O2 Zn1 N2 89.46(12) . . ?
O2 Zn1 O1 75.73(11) . . ?
N2 Zn1 O1 137.96(13) . . ?
O2 Zn1 N1 139.31(13) . . ?
N2 Zn1 N1 79.94(13) . . ?
O1 Zn1 N1 86.24(12) . . ?
O2 Zn1 Cl1 114.86(9) . . ?
N2 Zn1 Cl1 104.21(11) . . ?
O1 Zn1 Cl1 117.76(9) . . ?
N1 Zn1 Cl1 105.83(10) . . ?
O2 Zn1 Dy1 38.44(8) . . ?
N2 Zn1 Dy1 118.36(9) . . ?
O1 Zn1 Dy1 37.30(8) . . ?
N1 Zn1 Dy1 115.87(10) . . ?
Cl1 Zn1 Dy1 123.75(4) . . ?
O3 C1 H1A 109.5 . . ?
O3 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O3 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 C4 121.1(5) . . ?
C3 C2 H2A 119.5 . . ?
C4 C2 H2A 119.5 . . ?
C2 C3 C17 120.7(5) . . ?
C2 C3 H3A 119.6 . . ?
C17 C3 H3A 119.6 . . ?
C18 C4 C2 118.6(5) . . ?
C18 C4 H4A 120.7 . . ?
C2 C4 H4A 120.7 . . ?
C9 C5 C7 119.9(5) . . ?
C9 C5 H5A 120.1 . . ?
C7 C5 H5A 120.1 . . ?
O4 C6 H6A 109.5 . . ?
O4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
O4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 C12 119.5(4) . . ?
C5 C7 H7A 120.3 . . ?
C12 C7 H7A 120.3 . . ?
C14 C8 C20 120.9(4) . . ?
C14 C8 H8A 119.5 . . ?
C20 C8 H8A 119.5 . . ?
C5 C9 C15 121.8(5) . . ?
C5 C9 H9A 119.1 . . ?
C15 C9 H9A 119.1 . . ?
N1 C10 C17 124.7(4) . . ?
N1 C10 H10A 117.7 . . ?
C17 C10 H10A 117.7 . . ?
O1 C11 C18 116.7(4) . . ?
O1 C11 C17 124.6(4) . . ?
C18 C11 C17 118.7(4) . . ?
C7 C12 C16 120.1(4) . . ?
C7 C12 N2 124.0(4) . . ?
C16 C12 N2 115.9(4) . . ?
C8 C14 O4 125.6(4) . . ?
C8 C14 C19 121.4(4) . . ?
O4 C14 C19 113.0(3) . . ?
C9 C15 C16 119.3(5) . . ?
C9 C15 H15A 120.3 . . ?
C16 C15 H15A 120.3 . . ?
C15 C16 C12 119.3(4) . . ?
C15 C16 N1 124.3(4) . . ?
C12 C16 N1 116.4(4) . . ?
C11 C17 C3 118.6(4) . . ?
C11 C17 C10 124.1(4) . . ?
C3 C17 C10 117.2(4) . . ?
C4 C18 O3 125.0(4) . . ?
C4 C18 C11 122.3(4) . . ?
O3 C18 C11 112.7(4) . . ?
O2 C19 C14 117.4(4) . . ?
O2 C19 C22 125.0(4) . . ?
C14 C19 C22 117.6(4) . . ?
C23 C20 C8 119.1(4) . . ?
C23 C20 H20A 120.4 . . ?
C8 C20 H20A 120.4 . . ?
N2 C21 C22 125.2(4) . . ?
N2 C21 H21A 117.4 . . ?
C22 C21 H21A 117.4 . . ?
C23 C22 C19 119.1(4) . . ?
C23 C22 C21 116.8(4) . . ?
C19 C22 C21 124.0(4) . . ?
C20 C23 C22 121.6(4) . . ?
C20 C23 H23A 119.2 . . ?
C22 C23 H23A 119.2 . . ?
C10 N1 C16 123.5(4) . . ?
C10 N1 Zn1 125.9(3) . . ?
C16 N1 Zn1 109.8(3) . . ?
C21 N2 C12 122.9(4) . . ?
C21 N2 Zn1 125.7(3) . . ?
C12 N2 Zn1 111.4(3) . . ?
C11 O1 Zn1 124.2(2) . . ?
C11 O1 Dy1 125.6(2) . . ?
Zn1 O1 Dy1 110.15(11) . . ?
C19 O2 Zn1 123.8(2) . . ?
C19 O2 Dy1 126.1(2) . . ?
Zn1 O2 Dy1 108.97(12) . . ?
C18 O3 C1 116.6(4) . . ?
C18 O3 Dy1 114.2(2) . . ?
C1 O3 Dy1 129.0(3) . . ?
C14 O4 C6 114.6(4) . . ?
C14 O4 Dy1 113.3(2) . . ?
C6 O4 Dy1 120.0(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Dy1 Zn1 O2 -178.93(19) . . . . ?
O1 Dy1 Zn1 O2 80.50(18) 2 . . . ?
O2 Dy1 Zn1 O2 -130.7(3) 2 . . . ?
O3 Dy1 Zn1 O2 87.72(15) 2 . . . ?
O3 Dy1 Zn1 O2 160.15(15) . . . . ?
Cl2 Dy1 Zn1 O2 -55.62(13) . . . . ?
O4 Dy1 Zn1 O2 -126.06(15) 2 . . . ?
O4 Dy1 Zn1 O2 14.76(15) . . . . ?
Zn1 Dy1 Zn1 O2 124.38(13) 2 . . . ?
O1 Dy1 Zn1 N2 -133.16(18) . . . . ?
O1 Dy1 Zn1 N2 126.28(16) 2 . . . ?
O2 Dy1 Zn1 N2 -84.92(19) 2 . . . ?
O2 Dy1 Zn1 N2 45.77(17) . . . . ?
O3 Dy1 Zn1 N2 133.50(13) 2 . . . ?
O3 Dy1 Zn1 N2 -154.07(13) . . . . ?
Cl2 Dy1 Zn1 N2 -9.85(11) . . . . ?
O4 Dy1 Zn1 N2 -80.29(13) 2 . . . ?
O4 Dy1 Zn1 N2 60.53(13) . . . . ?
Zn1 Dy1 Zn1 N2 170.16(11) 2 . . . ?
O1 Dy1 Zn1 O1 -100.6(3) 2 . . . ?
O2 Dy1 Zn1 O1 48.2(2) 2 . . . ?
O2 Dy1 Zn1 O1 178.93(19) . . . . ?
O3 Dy1 Zn1 O1 -93.35(16) 2 . . . ?
O3 Dy1 Zn1 O1 -20.92(16) . . . . ?
Cl2 Dy1 Zn1 O1 123.31(14) . . . . ?
O4 Dy1 Zn1 O1 52.87(15) 2 . . . ?
O4 Dy1 Zn1 O1 -166.31(15) . . . . ?
Zn1 Dy1 Zn1 O1 -56.69(14) 2 . . . ?
O1 Dy1 Zn1 N1 -40.80(17) . . . . ?
O1 Dy1 Zn1 N1 -141.37(15) 2 . . . ?
O2 Dy1 Zn1 N1 7.44(19) 2 . . . ?
O2 Dy1 Zn1 N1 138.13(17) . . . . ?
O3 Dy1 Zn1 N1 -134.15(13) 2 . . . ?
O3 Dy1 Zn1 N1 -61.72(13) . . . . ?
Cl2 Dy1 Zn1 N1 82.51(10) . . . . ?
O4 Dy1 Zn1 N1 12.07(12) 2 . . . ?
O4 Dy1 Zn1 N1 152.89(12) . . . . ?
Zn1 Dy1 Zn1 N1 -97.49(10) 2 . . . ?
O1 Dy1 Zn1 Cl1 92.71(15) . . . . ?
O1 Dy1 Zn1 Cl1 -7.85(12) 2 . . . ?
O2 Dy1 Zn1 Cl1 140.95(16) 2 . . . ?
O2 Dy1 Zn1 Cl1 -88.36(14) . . . . ?
O3 Dy1 Zn1 Cl1 -0.63(8) 2 . . . ?
O3 Dy1 Zn1 Cl1 71.80(9) . . . . ?
Cl2 Dy1 Zn1 Cl1 -143.97(4) . . . . ?
O4 Dy1 Zn1 Cl1 145.58(8) 2 . . . ?
O4 Dy1 Zn1 Cl1 -73.60(8) . . . . ?
Zn1 Dy1 Zn1 Cl1 36.03(4) 2 . . . ?
C4 C2 C3 C17 -1.4(9) . . . . ?
C3 C2 C4 C18 1.2(9) . . . . ?
C9 C5 C7 C12 -0.7(9) . . . . ?
C7 C5 C9 C15 1.5(9) . . . . ?
C5 C7 C12 C16 -0.8(8) . . . . ?
C5 C7 C12 N2 -179.4(5) . . . . ?
C20 C8 C14 O4 175.4(4) . . . . ?
C20 C8 C14 C19 -3.8(7) . . . . ?
C5 C9 C15 C16 -0.9(9) . . . . ?
C9 C15 C16 C12 -0.7(8) . . . . ?
C9 C15 C16 N1 178.7(5) . . . . ?
C7 C12 C16 C15 1.5(7) . . . . ?
N2 C12 C16 C15 -179.8(4) . . . . ?
C7 C12 C16 N1 -177.9(4) . . . . ?
N2 C12 C16 N1 0.8(6) . . . . ?
O1 C11 C17 C3 177.0(4) . . . . ?
C18 C11 C17 C3 0.3(7) . . . . ?
O1 C11 C17 C10 1.1(7) . . . . ?
C18 C11 C17 C10 -175.6(4) . . . . ?
C2 C3 C17 C11 0.6(8) . . . . ?
C2 C3 C17 C10 176.8(5) . . . . ?
N1 C10 C17 C11 -7.5(7) . . . . ?
N1 C10 C17 C3 176.5(4) . . . . ?
C2 C4 C18 O3 -178.5(5) . . . . ?
C2 C4 C18 C11 -0.2(8) . . . . ?
O1 C11 C18 C4 -177.5(4) . . . . ?
C17 C11 C18 C4 -0.5(7) . . . . ?
O1 C11 C18 O3 1.0(6) . . . . ?
C17 C11 C18 O3 177.9(4) . . . . ?
C8 C14 C19 O2 -177.9(4) . . . . ?
O4 C14 C19 O2 2.9(5) . . . . ?
C8 C14 C19 C22 5.3(6) . . . . ?
O4 C14 C19 C22 -173.9(3) . . . . ?
C14 C8 C20 C23 -0.7(7) . . . . ?
O2 C19 C22 C23 -179.0(4) . . . . ?
C14 C19 C22 C23 -2.5(6) . . . . ?
O2 C19 C22 C21 -3.5(6) . . . . ?
C14 C19 C22 C21 173.0(4) . . . . ?
N2 C21 C22 C23 -172.2(4) . . . . ?
N2 C21 C22 C19 12.2(7) . . . . ?
C8 C20 C23 C22 3.5(7) . . . . ?
C19 C22 C23 C20 -1.8(7) . . . . ?
C21 C22 C23 C20 -177.7(4) . . . . ?
C17 C10 N1 C16 177.0(4) . . . . ?
C17 C10 N1 Zn1 -14.1(6) . . . . ?
C15 C16 N1 C10 8.6(7) . . . . ?
C12 C16 N1 C10 -172.0(4) . . . . ?
C15 C16 N1 Zn1 -161.9(4) . . . . ?
C12 C16 N1 Zn1 17.5(5) . . . . ?
O2 Zn1 N1 C10 91.1(4) . . . . ?
N2 Zn1 N1 C10 168.4(4) . . . . ?
O1 Zn1 N1 C10 28.2(4) . . . . ?
Cl1 Zn1 N1 C10 -89.6(4) . . . . ?
Dy1 Zn1 N1 C10 51.6(4) . . . . ?
O2 Zn1 N1 C16 -98.6(3) . . . . ?
N2 Zn1 N1 C16 -21.4(3) . . . . ?
O1 Zn1 N1 C16 -161.5(3) . . . . ?
Cl1 Zn1 N1 C16 80.7(3) . . . . ?
Dy1 Zn1 N1 C16 -138.1(2) . . . . ?
C22 C21 N2 C12 -177.8(4) . . . . ?
C22 C21 N2 Zn1 5.4(6) . . . . ?
C7 C12 N2 C21 -17.8(7) . . . . ?
C16 C12 N2 C21 163.5(4) . . . . ?
C7 C12 N2 Zn1 159.3(4) . . . . ?
C16 C12 N2 Zn1 -19.3(5) . . . . ?
O2 Zn1 N2 C21 -20.3(3) . . . . ?
O1 Zn1 N2 C21 -88.1(4) . . . . ?
N1 Zn1 N2 C21 -160.9(4) . . . . ?
Cl1 Zn1 N2 C21 95.2(3) . . . . ?
Dy1 Zn1 N2 C21 -46.8(4) . . . . ?
O2 Zn1 N2 C12 162.6(3) . . . . ?
O1 Zn1 N2 C12 94.8(3) . . . . ?
N1 Zn1 N2 C12 22.0(3) . . . . ?
Cl1 Zn1 N2 C12 -81.9(3) . . . . ?
Dy1 Zn1 N2 C12 136.1(2) . . . . ?
C18 C11 O1 Zn1 -157.1(3) . . . . ?
C17 C11 O1 Zn1 26.2(6) . . . . ?
C18 C11 O1 Dy1 25.9(5) . . . . ?
C17 C11 O1 Dy1 -150.8(3) . . . . ?
O2 Zn1 O1 C11 -176.7(3) . . . . ?
N2 Zn1 O1 C11 -104.0(3) . . . . ?
N1 Zn1 O1 C11 -33.5(3) . . . . ?
Cl1 Zn1 O1 C11 72.4(3) . . . . ?
Dy1 Zn1 O1 C11 -177.4(4) . . . . ?
O2 Zn1 O1 Dy1 0.68(12) . . . . ?
N2 Zn1 O1 Dy1 73.4(2) . . . . ?
N1 Zn1 O1 Dy1 143.90(15) . . . . ?
Cl1 Zn1 O1 Dy1 -110.19(11) . . . . ?
O1 Dy1 O1 C11 -66.7(3) 2 . . . ?
O2 Dy1 O1 C11 22.4(4) 2 . . . ?
O2 Dy1 O1 C11 176.8(3) . . . . ?
O3 Dy1 O1 C11 -101.9(3) 2 . . . ?
O3 Dy1 O1 C11 -26.5(3) . . . . ?
Cl2 Dy1 O1 C11 113.3(3) . . . . ?
O4 Dy1 O1 C11 53.7(3) 2 . . . ?
O4 Dy1 O1 C11 -166.2(3) . . . . ?
Zn1 Dy1 O1 C11 -18.5(4) 2 . . . ?
Zn1 Dy1 O1 C11 177.4(4) . . . . ?
O1 Dy1 O1 Zn1 115.87(13) 2 . . . ?
O2 Dy1 O1 Zn1 -155.00(11) 2 . . . ?
O2 Dy1 O1 Zn1 -0.63(11) . . . . ?
O3 Dy1 O1 Zn1 80.74(14) 2 . . . ?
O3 Dy1 O1 Zn1 156.12(18) . . . . ?
Cl2 Dy1 O1 Zn1 -64.13(13) . . . . ?
O4 Dy1 O1 Zn1 -123.68(15) 2 . . . ?
O4 Dy1 O1 Zn1 16.43(18) . . . . ?
Zn1 Dy1 O1 Zn1 164.14(4) 2 . . . ?
C14 C19 O2 Zn1 162.5(3) . . . . ?
C22 C19 O2 Zn1 -21.0(5) . . . . ?
C14 C19 O2 Dy1 -31.0(5) . . . . ?
C22 C19 O2 Dy1 145.5(3) . . . . ?
N2 Zn1 O2 C19 27.6(3) . . . . ?
O1 Zn1 O2 C19 167.8(3) . . . . ?
N1 Zn1 O2 C19 101.4(3) . . . . ?
Cl1 Zn1 O2 C19 -77.8(3) . . . . ?
Dy1 Zn1 O2 C19 168.5(4) . . . . ?
N2 Zn1 O2 Dy1 -140.91(14) . . . . ?
O1 Zn1 O2 Dy1 -0.67(12) . . . . ?
N1 Zn1 O2 Dy1 -67.1(2) . . . . ?
Cl1 Zn1 O2 Dy1 113.66(11) . . . . ?
O1 Dy1 O2 C19 -167.5(3) . . . . ?
O1 Dy1 O2 C19 63.8(3) 2 . . . ?
O2 Dy1 O2 C19 -45.3(3) 2 . . . ?
O3 Dy1 O2 C19 106.4(3) 2 . . . ?
O3 Dy1 O2 C19 168.1(3) . . . . ?
Cl2 Dy1 O2 C19 -45.3(3) . . . . ?
O4 Dy1 O2 C19 -108.5(3) 2 . . . ?
O4 Dy1 O2 C19 28.9(3) . . . . ?
Zn1 Dy1 O2 C19 34.2(4) 2 . . . ?
Zn1 Dy1 O2 C19 -168.2(4) . . . . ?
O1 Dy1 O2 Zn1 0.63(11) . . . . ?
O1 Dy1 O2 Zn1 -128.01(13) 2 . . . ?
O2 Dy1 O2 Zn1 122.88(12) 2 . . . ?
O3 Dy1 O2 Zn1 -85.41(13) 2 . . . ?
O3 Dy1 O2 Zn1 -23.70(18) . . . . ?
Cl2 Dy1 O2 Zn1 122.88(12) . . . . ?
O4 Dy1 O2 Zn1 59.64(15) 2 . . . ?
O4 Dy1 O2 Zn1 -162.96(17) . . . . ?
Zn1 Dy1 O2 Zn1 -157.63(6) 2 . . . ?
C4 C18 O3 C1 -17.8(8) . . . . ?
C11 C18 O3 C1 163.8(5) . . . . ?
C4 C18 O3 Dy1 157.0(4) . . . . ?
C11 C18 O3 Dy1 -21.4(5) . . . . ?
O1 Dy1 O3 C18 23.9(3) . . . . ?
O1 Dy1 O3 C18 176.3(3) 2 . . . ?
O2 Dy1 O3 C18 -117.5(3) 2 . . . ?
O2 Dy1 O3 C18 49.0(3) . . . . ?
O3 Dy1 O3 C18 113.4(3) 2 . . . ?
Cl2 Dy1 O3 C18 -66.6(3) . . . . ?
O4 Dy1 O3 C18 -55.4(3) 2 . . . ?
O4 Dy1 O3 C18 132.4(3) . . . . ?
Zn1 Dy1 O3 C18 -150.8(3) 2 . . . ?
Zn1 Dy1 O3 C18 36.5(3) . . . . ?
O1 Dy1 O3 C1 -162.0(6) . . . . ?
O1 Dy1 O3 C1 -9.6(5) 2 . . . ?
O2 Dy1 O3 C1 56.5(5) 2 . . . ?
O2 Dy1 O3 C1 -136.9(5) . . . . ?
O3 Dy1 O3 C1 -72.5(5) 2 . . . ?
Cl2 Dy1 O3 C1 107.5(5) . . . . ?
O4 Dy1 O3 C1 118.6(6) 2 . . . ?
O4 Dy1 O3 C1 -53.5(6) . . . . ?
Zn1 Dy1 O3 C1 23.3(5) 2 . . . ?
Zn1 Dy1 O3 C1 -149.5(5) . . . . ?
C8 C14 O4 C6 -17.4(6) . . . . ?
C19 C14 O4 C6 161.7(4) . . . . ?
C8 C14 O4 Dy1 -160.1(4) . . . . ?
C19 C14 O4 Dy1 19.0(4) . . . . ?
O1 Dy1 O4 C14 -41.4(3) . . . . ?
O1 Dy1 O4 C14 -174.4(3) 2 . . . ?
O2 Dy1 O4 C14 131.2(3) 2 . . . ?
O2 Dy1 O4 C14 -23.5(2) . . . . ?
O3 Dy1 O4 C14 -109.7(3) 2 . . . ?
O3 Dy1 O4 C14 -128.6(3) . . . . ?
Cl2 Dy1 O4 C14 63.3(2) . . . . ?
O4 Dy1 O4 C14 63.3(2) 2 . . . ?
Zn1 Dy1 O4 C14 158.9(3) 2 . . . ?
Zn1 Dy1 O4 C14 -32.6(3) . . . . ?
O1 Dy1 O4 C6 178.2(3) . . . . ?
O1 Dy1 O4 C6 45.1(3) 2 . . . ?
O2 Dy1 O4 C6 -9.2(3) 2 . . . ?
O2 Dy1 O4 C6 -164.0(4) . . . . ?
O3 Dy1 O4 C6 109.9(3) 2 . . . ?
O3 Dy1 O4 C6 90.9(4) . . . . ?
Cl2 Dy1 O4 C6 -77.2(3) . . . . ?
O4 Dy1 O4 C6 -77.2(3) 2 . . . ?
Zn1 Dy1 O4 C6 18.5(3) 2 . . . ?
Zn1 Dy1 O4 C6 -173.1(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.747
_refine_diff_density_min         -0.849
_refine_diff_density_rms         0.104
####################################################################### 
# 
# 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_v
_database_code_depnum_ccdc_archive 'CCDC 974436'
_audit_update_record             
;
2014-09-09 deposited with the CCDC.
2015-10-09 downloaded from the CCDC.
;
_audit_creation_date             2014-09-09
_audit_creation_method           
;
  Olex2 1.2
  (compiled Dec  5 2012 16:20:19, GUI svn.r4385)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         
'0.5(C45 H40 Br2 Dy N4 O9 Zn2), 0.5(Br), 1.5(O)'
_chemical_formula_sum            'C45 H40 Br3 Cl0 Dy N4 O12 Zn2'
_chemical_formula_weight         1361.78
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   10.6898(4)
_cell_length_b                   15.3759(6)
_cell_length_c                   16.5328(4)
_cell_angle_alpha                92.178(3)
_cell_angle_beta                 108.240(3)
_cell_angle_gamma                99.096(3)
_cell_volume                     2537.31(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_exptl_absorpt_coefficient_mu    4.819
_exptl_absorpt_correction_T_max  0.5127
_exptl_absorpt_correction_T_min  0.4458
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1330
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0810
_diffrn_reflns_av_unetI/netI     0.0932
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22070
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         2.82
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                7823
_reflns_number_total             9982
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         4.211
_refine_diff_density_min         -2.064
_refine_diff_density_rms         0.225
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     615
_refine_ls_number_reflns         9982
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0867
_refine_ls_R_factor_gt           0.0684
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0987P)²+11.3371P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1779
_refine_ls_wR_factor_ref         0.1924
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  H27 of C27, H30A of C30, H35 of C35, H37 of C37, H38 of C38, H39 of C39,
  H42 of C42, H43 of C43, H45 of C45, H44 of C44, H7A of C7, H32A of C32, H9A
  of C9, H10 of C10, H11 of C11, H14 of C14, H18 of C18, H19 of C19, H20 of C20,
   H21 of C21, H53 of C22, H23 of C23, H25 of C25, H26 of C26
 At 1.5 times of:
  {H31A,H31B,H31C} of C31, {H34A,H34B,H34C} of C34, {H3A,H3B,H3C} of C3, {H2A,
  H2B,H2C} of C2, {H1A,H1B,H1C} of C1, H9 of O9
2. Restrained distances
 O9-H9
 0.85 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints

4. Others
 Fixed Sof: Br4(0.5) Br3(0.5)
5.a Me refined with riding coordinates:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C31(H31A,H31B,H31C)
5.b Aromatic/amide H refined with riding coordinates:
 C7(H7A), C9(H9A), C10(H10), C11(H11), C14(H14), C18(H18), C19(H19), C20(H20),
 C21(H21), C22(H53), C23(H23), C25(H25), C26(H26), C27(H27), C30(H30A),
 C32(H32A), C35(H35), C37(H37), C38(H38), C39(H39), C42(H42), C43(H43),
 C45(H45), C44(H44)
5.c Idealised Me refined as rotating group:
 C34(H34A,H34B,H34C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.27639(4) 0.77968(3) 0.14813(2) 0.02088(14) Uani 1 1 d . . .
Br1 Br 0.50273(8) 0.77849(6) -0.08849(5) 0.0260(2) Uani 1 1 d . . .
Br2 Br 0.18475(8) 1.01228(6) 0.33983(5) 0.0293(2) Uani 1 1 d . . .
Br4 Br 0.8023(2) 0.6594(2) 0.49334(14) 0.0551(7) Uani 0.50 1 d P . .
Br3 Br 0.0000 0.5000 0.0000 0.0805(8) Uani 1 2 d S . .
Zn1 Zn 0.31596(9) 0.71047(7) -0.04864(6) 0.0209(2) Uani 1 1 d . . .
Zn2 Zn 0.26515(9) 0.87628(7) 0.34276(6) 0.0242(2) Uani 1 1 d . . .
O1 O 0.2342(5) 0.7987(4) 0.0072(3) 0.0228(13) Uani 1 1 d . . .
O2 O 0.3572(5) 0.6801(4) 0.0752(3) 0.0215(12) Uani 1 1 d . . .
O3 O 0.2426(5) 0.9361(4) 0.1009(4) 0.0253(13) Uani 1 1 d . . .
O4 O 0.4419(6) 0.6811(4) 0.2380(4) 0.0262(13) Uani 1 1 d . . .
O5 O 0.3936(5) 0.8595(4) 0.2772(4) 0.0237(13) Uani 1 1 d . . .
O6 O 0.1504(5) 0.7976(4) 0.2354(4) 0.0253(13) Uani 1 1 d . . .
O7 O 0.0048(6) 0.7693(4) 0.0762(4) 0.0274(14) Uani 1 1 d . . .
O8 O 0.5055(5) 0.8828(4) 0.1619(3) 0.0239(13) Uani 1 1 d . . .
O9 O 0.1573(6) 0.6363(4) 0.1532(4) 0.0301(14) Uani 1 1 d D . .
H9 H 0.129(11) 0.617(7) 0.101(2) 0.045 Uiso 1 1 d D . .
O10 O 0.2413(11) 0.2342(9) 0.2428(8) 0.095(4) Uani 1 1 d . . .
O11 O 0.299(2) 0.3926(19) 0.325(3) 0.42(3) Uani 1 1 d . . .
N1 N 0.1517(7) 0.7096(5) -0.1589(4) 0.0237(16) Uani 1 1 d . . .
N2 N 0.2727(7) 0.5790(5) -0.0890(4) 0.0240(16) Uani 1 1 d . . .
N3 N 0.4193(7) 0.8723(5) 0.4524(5) 0.0293(17) Uani 1 1 d . . .
N4 N 0.1603(7) 0.8012(5) 0.4090(5) 0.0293(17) Uani 1 1 d . . .
C1 C 0.1474(10) 0.5894(7) 0.2272(6) 0.039(2) Uani 1 1 d . . .
H1A H 0.0916 0.5324 0.2077 0.058 Uiso 1 1 calc R . .
H1B H 0.1091 0.6230 0.2603 0.058 Uiso 1 1 calc R . .
H1C H 0.2351 0.5821 0.2618 0.058 Uiso 1 1 calc R . .
C2 C 0.4848(10) 0.6793(7) 0.3308(5) 0.032(2) Uani 1 1 d . . .
H2A H 0.5443 0.6377 0.3472 0.048 Uiso 1 1 calc R . .
H2B H 0.4080 0.6620 0.3487 0.048 Uiso 1 1 calc R . .
H2C H 0.5304 0.7371 0.3576 0.048 Uiso 1 1 calc R . .
C3 C 0.2913(9) 1.0188(6) 0.1525(6) 0.029(2) Uani 1 1 d . . .
H3A H 0.2642 1.0658 0.1182 0.043 Uiso 1 1 calc R . .
H3B H 0.3873 1.0281 0.1750 0.043 Uiso 1 1 calc R . .
H3C H 0.2551 1.0180 0.1988 0.043 Uiso 1 1 calc R . .
O12 O 0.3553(19) 0.542(3) 0.5278(13) 0.33(2) Uani 1 1 d . . .
C5 C 0.1811(8) 0.8629(6) -0.0356(5) 0.0219(18) Uani 1 1 d . . .
C6 C 0.1859(8) 0.9415(6) 0.0137(6) 0.0251(19) Uani 1 1 d . . .
C7 C 0.1373(8) 1.0126(6) -0.0233(6) 0.028(2) Uani 1 1 d . . .
H7A H 0.1459 1.0644 0.0104 0.033 Uiso 1 1 calc R . .
C8 C -0.0412(8) 0.7664(6) 0.2856(6) 0.0266(19) Uani 1 1 d . . .
C9 C -0.1835(9) 0.7450(7) 0.2606(6) 0.034(2) Uani 1 1 d . . .
H9A H -0.2245 0.7351 0.3022 0.041 Uiso 1 1 calc R . .
C10 C -0.2608(9) 0.7385(7) 0.1766(7) 0.035(2) Uani 1 1 d . . .
H10 H -0.3536 0.7296 0.1622 0.041 Uiso 1 1 calc R . .
C11 C -0.2025(8) 0.7452(6) 0.1132(6) 0.0262(19) Uani 1 1 d . . .
H11 H -0.2561 0.7384 0.0561 0.031 Uiso 1 1 calc R . .
C12 C -0.0654(8) 0.7617(6) 0.1338(6) 0.0253(19) Uani 1 1 d . . .
C13 C 0.0179(8) 0.7751(6) 0.2208(6) 0.0232(18) Uani 1 1 d . . .
C14 C 0.0346(8) 0.7713(6) 0.3774(6) 0.0271(19) Uani 1 1 d . . .
H14 H -0.0114 0.7516 0.4145 0.032 Uiso 1 1 calc R . .
C15 C 0.1163(8) 0.8568(6) -0.1249(6) 0.0268(19) Uani 1 1 d . . .
C16 C 0.3718(9) 0.8452(7) 0.5219(6) 0.032(2) Uani 1 1 d . . .
C17 C 0.2337(10) 0.8077(7) 0.4977(6) 0.037(2) Uani 1 1 d . . .
C18 C 0.1819(12) 0.7784(8) 0.5611(7) 0.052(3) Uani 1 1 d . . .
H18 H 0.0926 0.7514 0.5465 0.062 Uiso 1 1 calc R . .
C19 C 0.2624(11) 0.7893(9) 0.6455(7) 0.054(3) Uani 1 1 d . . .
H19 H 0.2265 0.7697 0.6875 0.065 Uiso 1 1 calc R . .
C20 C 0.3972(11) 0.8293(10) 0.6690(7) 0.058(4) Uani 1 1 d . . .
H20 H 0.4503 0.8371 0.7262 0.070 Uiso 1 1 calc R . .
C21 C 0.4499(10) 0.8567(8) 0.6073(6) 0.046(3) Uani 1 1 d . . .
H21 H 0.5394 0.8835 0.6227 0.056 Uiso 1 1 calc R . .
C22 C 0.0642(9) 0.9282(7) -0.1613(6) 0.031(2) Uani 1 1 d . . .
H53 H 0.0211 0.9235 -0.2201 0.037 Uiso 1 1 calc R . .
C23 C 0.5451(9) 0.8947(7) 0.4620(6) 0.034(2) Uani 1 1 d . . .
H23 H 0.6053 0.8967 0.5169 0.041 Uiso 1 1 calc R . .
C24 C 0.6000(8) 0.9170(7) 0.3943(6) 0.029(2) Uani 1 1 d . . .
C25 C 0.7369(10) 0.9519(8) 0.4161(6) 0.042(3) Uani 1 1 d . . .
H25 H 0.7876 0.9643 0.4736 0.050 Uiso 1 1 calc R . .
C26 C 0.7986(9) 0.9685(8) 0.3556(6) 0.040(3) Uani 1 1 d . . .
H26 H 0.8888 0.9937 0.3718 0.048 Uiso 1 1 calc R . .
C27 C 0.7231(9) 0.9467(7) 0.2684(6) 0.033(2) Uani 1 1 d . . .
H27 H 0.7640 0.9565 0.2267 0.040 Uiso 1 1 calc R . .
C28 C 0.5875(8) 0.9105(6) 0.2448(5) 0.0249(19) Uani 1 1 d . . .
C29 C 0.5229(8) 0.8956(6) 0.3059(5) 0.0263(19) Uani 1 1 d . . .
C30 C 0.0950(8) 0.7761(6) -0.1802(5) 0.0246(19) Uani 1 1 d . . .
H30A H 0.0353 0.7728 -0.2355 0.029 Uiso 1 1 calc R . .
C31 C 0.5465(9) 0.9265(7) 0.0956(6) 0.033(2) Uani 1 1 d . . .
H31A H 0.6355 0.9599 0.1200 0.049 Uiso 1 1 calc R . .
H31B H 0.4860 0.9656 0.0710 0.049 Uiso 1 1 calc R . .
H31C H 0.5449 0.8829 0.0520 0.049 Uiso 1 1 calc R . .
C32 C 0.1930(9) 0.4874(7) -0.2300(6) 0.030(2) Uani 1 1 d . . .
H32A H 0.2404 0.4436 -0.2067 0.035 Uiso 1 1 calc R . .
C33 C 0.1983(8) 0.5626(6) -0.1780(6) 0.0268(19) Uani 1 1 d . . .
C34 C -0.0766(9) 0.7308(7) -0.0104(6) 0.032(2) Uani 1 1 d . . .
H34A H -0.0198 0.7277 -0.0450 0.047 Uiso 1 1 calc R . .
H34B H -0.1413 0.7671 -0.0351 0.047 Uiso 1 1 calc R . .
H34C H -0.1219 0.6724 -0.0078 0.047 Uiso 1 1 calc R . .
C35 C 0.1184(10) 0.4776(7) -0.3155(6) 0.035(2) Uani 1 1 d . . .
H35 H 0.1160 0.4275 -0.3497 0.042 Uiso 1 1 calc R . .
C36 C 0.3733(8) 0.5278(6) 0.0500(5) 0.0233(18) Uani 1 1 d . . .
C37 C 0.4151(8) 0.4523(6) 0.0887(6) 0.029(2) Uani 1 1 d . . .
H37 H 0.4027 0.4004 0.0541 0.035 Uiso 1 1 calc R . .
C38 C 0.4729(10) 0.4525(7) 0.1751(7) 0.039(2) Uani 1 1 d . . .
H38 H 0.5029 0.4026 0.1986 0.047 Uiso 1 1 calc R . .
C39 C 0.4863(8) 0.5299(7) 0.2280(5) 0.028(2) Uani 1 1 d . . .
H39 H 0.5248 0.5311 0.2869 0.034 Uiso 1 1 calc R . .
C40 C 0.4426(8) 0.6033(6) 0.1928(6) 0.0268(19) Uani 1 1 d . . .
C41 C 0.3907(7) 0.6060(6) 0.1030(5) 0.0216(18) Uani 1 1 d . . .
C42 C 0.3055(8) 0.5172(6) -0.0428(5) 0.0254(19) Uani 1 1 d . . .
H42 H 0.2849 0.4602 -0.0699 0.031 Uiso 1 1 calc R . .
C43 C 0.0470(9) 0.5424(7) -0.3506(6) 0.034(2) Uani 1 1 d . . .
H43 H -0.0050 0.5347 -0.4081 0.041 Uiso 1 1 calc R . .
C4 C 0.1310(8) 0.6311(6) -0.2149(5) 0.0243(19) Uani 1 1 d . . .
C45 C 0.0523(9) 0.6189(7) -0.3008(6) 0.033(2) Uani 1 1 d . . .
H45 H 0.0034 0.6618 -0.3248 0.039 Uiso 1 1 calc R . .
C44 C 0.0738(9) 1.0075(7) -0.1131(6) 0.033(2) Uani 1 1 d . . .
H44 H 0.0396 1.0551 -0.1392 0.040 Uiso 1 1 calc R . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Zn1 3.5545(10) . ?
Dy1 Zn2 3.5369(11) . ?
Dy1 O1 2.270(5) . ?
Dy1 O2 2.339(6) . ?
Dy1 O3 2.602(6) . ?
Dy1 O4 2.647(6) . ?
Dy1 O5 2.296(6) . ?
Dy1 O6 2.296(6) . ?
Dy1 O7 2.747(6) . ?
Dy1 O8 2.638(5) . ?
Dy1 O9 2.384(6) . ?
Br1 Zn1 2.3936(12) . ?
Br2 Zn2 2.3798(14) . ?
Zn1 O1 2.059(6) . ?
Zn1 O2 2.044(5) . ?
Zn1 N1 2.096(7) . ?
Zn1 N2 2.038(8) . ?
Zn2 O5 2.036(6) . ?
Zn2 O6 2.031(6) . ?
Zn2 N3 2.043(7) . ?
Zn2 N4 2.060(7) . ?
O1 C5 1.333(10) . ?
O2 C41 1.305(10) . ?
O3 C3 1.430(11) . ?
O3 C6 1.388(10) . ?
O4 C2 1.460(10) . ?
O4 C40 1.389(11) . ?
O5 C29 1.331(10) . ?
O6 C13 1.345(9) . ?
O7 C12 1.384(10) . ?
O7 C34 1.466(10) . ?
O8 C28 1.383(10) . ?
O8 C31 1.453(10) . ?
O9 H9 0.850(10) . ?
O9 C1 1.465(11) . ?
N1 C30 1.275(11) . ?
N1 C4 1.438(12) . ?
N2 C33 1.428(11) . ?
N2 C42 1.266(11) . ?
N3 C16 1.445(12) . ?
N3 C23 1.292(11) . ?
N4 C14 1.280(11) . ?
N4 C17 1.421(12) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C5 C6 1.415(13) . ?
C5 C15 1.413(12) . ?
C6 C7 1.369(12) . ?
C7 H7A 0.9300 . ?
C7 C44 1.420(13) . ?
C8 C9 1.425(12) . ?
C8 C13 1.406(12) . ?
C8 C14 1.472(12) . ?
C9 H9A 0.9300 . ?
C9 C10 1.365(14) . ?
C10 H10 0.9300 . ?
C10 C11 1.377(13) . ?
C11 H11 0.9300 . ?
C11 C12 1.376(11) . ?
C12 C13 1.421(12) . ?
C14 H14 0.9300 . ?
C15 C22 1.383(13) . ?
C15 C30 1.456(13) . ?
C16 C17 1.420(13) . ?
C16 C21 1.385(13) . ?
C17 C18 1.389(14) . ?
C18 H18 0.9300 . ?
C18 C19 1.379(15) . ?
C19 H19 0.9300 . ?
C19 C20 1.399(14) . ?
C20 H20 0.9300 . ?
C20 C21 1.361(15) . ?
C21 H21 0.9300 . ?
C22 H53 0.9300 . ?
C22 C44 1.402(14) . ?
C23 H23 0.9300 . ?
C23 C24 1.445(13) . ?
C24 C25 1.402(12) . ?
C24 C29 1.431(12) . ?
C25 H25 0.9300 . ?
C25 C26 1.370(14) . ?
C26 H26 0.9300 . ?
C26 C27 1.411(13) . ?
C27 H27 0.9300 . ?
C27 C28 1.393(12) . ?
C28 C29 1.397(12) . ?
C30 H30A 0.9300 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9300 . ?
C32 C33 1.397(13) . ?
C32 C35 1.377(13) . ?
C33 C4 1.419(13) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35 0.9300 . ?
C35 C43 1.385(14) . ?
C36 C37 1.414(12) . ?
C36 C41 1.413(13) . ?
C36 C42 1.466(12) . ?
C37 H37 0.9300 . ?
C37 C38 1.366(14) . ?
C38 H38 0.9300 . ?
C38 C39 1.410(15) . ?
C39 H39 0.9300 . ?
C39 C40 1.370(13) . ?
C40 C41 1.418(12) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C43 C45 1.394(14) . ?
C4 C45 1.393(12) . ?
C45 H45 0.9300 . ?
C44 H44 0.9300 . ?

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
Zn2 Dy1 Zn1 172.12(3) . . ?
O1 Dy1 Zn1 32.91(15) . . ?
O1 Dy1 Zn2 143.28(15) . . ?
O1 Dy1 O2 66.0(2) . . ?
O1 Dy1 O3 62.5(2) . . ?
O1 Dy1 O4 126.13(19) . . ?
O1 Dy1 O5 137.6(2) . . ?
O1 Dy1 O6 130.1(2) . . ?
O1 Dy1 O7 72.54(18) . . ?
O1 Dy1 O8 82.49(18) . . ?
O1 Dy1 O9 105.9(2) . . ?
O2 Dy1 Zn1 33.11(14) . . ?
O2 Dy1 Zn2 149.77(14) . . ?
O2 Dy1 O3 123.16(19) . . ?
O2 Dy1 O4 61.30(19) . . ?
O2 Dy1 O7 111.53(19) . . ?
O2 Dy1 O8 83.14(19) . . ?
O2 Dy1 O9 73.7(2) . . ?
O3 Dy1 Zn1 92.42(13) . . ?
O3 Dy1 Zn2 81.77(13) . . ?
O3 Dy1 O4 147.14(18) . . ?
O3 Dy1 O7 74.18(18) . . ?
O3 Dy1 O8 68.09(18) . . ?
O4 Dy1 Zn1 93.64(13) . . ?
O4 Dy1 Zn2 88.47(13) . . ?
O4 Dy1 O7 137.52(19) . . ?
O5 Dy1 Zn1 141.19(13) . . ?
O5 Dy1 Zn2 32.91(13) . . ?
O5 Dy1 O2 126.02(19) . . ?
O5 Dy1 O3 82.2(2) . . ?
O5 Dy1 O4 73.0(2) . . ?
O5 Dy1 O7 121.58(19) . . ?
O5 Dy1 O8 61.96(18) . . ?
O5 Dy1 O9 116.5(2) . . ?
O6 Dy1 Zn1 152.96(14) . . ?
O6 Dy1 Zn2 32.77(14) . . ?
O6 Dy1 O2 146.7(2) . . ?
O6 Dy1 O3 87.5(2) . . ?
O6 Dy1 O4 101.0(2) . . ?
O6 Dy1 O5 65.56(19) . . ?
O6 Dy1 O7 60.85(19) . . ?
O6 Dy1 O8 124.14(19) . . ?
O6 Dy1 O9 73.6(2) . . ?
O7 Dy1 Zn1 93.12(12) . . ?
O7 Dy1 Zn2 90.43(12) . . ?
O8 Dy1 Zn1 80.29(12) . . ?
O8 Dy1 Zn2 92.55(12) . . ?
O8 Dy1 O4 81.18(18) . . ?
O8 Dy1 O7 141.28(19) . . ?
O9 Dy1 Zn1 90.75(16) . . ?
O9 Dy1 Zn2 97.10(16) . . ?
O9 Dy1 O3 142.59(19) . . ?
O9 Dy1 O4 69.6(2) . . ?
O9 Dy1 O7 68.4(2) . . ?
O9 Dy1 O8 148.8(2) . . ?
Br1 Zn1 Dy1 120.86(4) . . ?
O1 Zn1 Dy1 36.81(15) . . ?
O1 Zn1 Br1 113.65(17) . . ?
O1 Zn1 N1 85.8(2) . . ?
O2 Zn1 Dy1 38.70(16) . . ?
O2 Zn1 Br1 116.27(16) . . ?
O2 Zn1 O1 75.5(2) . . ?
O2 Zn1 N1 140.0(2) . . ?
N1 Zn1 Dy1 116.15(19) . . ?
N1 Zn1 Br1 103.54(19) . . ?
N2 Zn1 Dy1 119.10(19) . . ?
N2 Zn1 Br1 108.97(19) . . ?
N2 Zn1 O1 137.2(3) . . ?
N2 Zn1 O2 89.8(3) . . ?
N2 Zn1 N1 80.3(3) . . ?
Br2 Zn2 Dy1 117.65(4) . . ?
O5 Zn2 Dy1 37.79(15) . . ?
O5 Zn2 Br2 118.87(18) . . ?
O5 Zn2 N3 87.4(3) . . ?
O5 Zn2 N4 137.9(3) . . ?
O6 Zn2 Dy1 37.73(16) . . ?
O6 Zn2 Br2 108.15(18) . . ?
O6 Zn2 O5 75.4(2) . . ?
O6 Zn2 N3 139.8(3) . . ?
O6 Zn2 N4 87.8(3) . . ?
N3 Zn2 Dy1 118.7(2) . . ?
N3 Zn2 Br2 111.9(2) . . ?
N3 Zn2 N4 81.1(3) . . ?
N4 Zn2 Dy1 118.1(2) . . ?
N4 Zn2 Br2 103.0(2) . . ?
Zn1 O1 Dy1 110.3(2) . . ?
C5 O1 Dy1 128.2(5) . . ?
C5 O1 Zn1 121.0(5) . . ?
Zn1 O2 Dy1 108.2(3) . . ?
C41 O2 Dy1 124.5(5) . . ?
C41 O2 Zn1 125.3(5) . . ?
C3 O3 Dy1 127.4(5) . . ?
C6 O3 Dy1 116.3(5) . . ?
C6 O3 C3 115.7(7) . . ?
C2 O4 Dy1 126.1(5) . . ?
C40 O4 Dy1 113.9(5) . . ?
C40 O4 C2 114.8(7) . . ?
Zn2 O5 Dy1 109.3(2) . . ?
C29 O5 Dy1 127.7(5) . . ?
C29 O5 Zn2 122.9(5) . . ?
Zn2 O6 Dy1 109.5(2) . . ?
C13 O6 Dy1 130.6(5) . . ?
C13 O6 Zn2 119.2(5) . . ?
C12 O7 Dy1 114.5(5) . . ?
C12 O7 C34 112.9(6) . . ?
C34 O7 Dy1 126.1(5) . . ?
C28 O8 Dy1 115.1(5) . . ?
C28 O8 C31 115.4(6) . . ?
C31 O8 Dy1 128.5(5) . . ?
Dy1 O9 H9 101(8) . . ?
C1 O9 Dy1 129.9(6) . . ?
C1 O9 H9 129(8) . . ?
C30 N1 Zn1 124.4(6) . . ?
C30 N1 C4 124.3(7) . . ?
C4 N1 Zn1 110.1(5) . . ?
C33 N2 Zn1 112.0(6) . . ?
C42 N2 Zn1 125.8(6) . . ?
C42 N2 C33 122.2(8) . . ?
C16 N3 Zn2 111.9(6) . . ?
C23 N3 Zn2 125.6(6) . . ?
C23 N3 C16 122.4(8) . . ?
C14 N4 Zn2 122.4(6) . . ?
C14 N4 C17 123.9(7) . . ?
C17 N4 Zn2 111.6(6) . . ?
O9 C1 H1A 109.5 . . ?
O9 C1 H1B 109.5 . . ?
O9 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O4 C2 H2A 109.5 . . ?
O4 C2 H2B 109.5 . . ?
O4 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O3 C3 H3A 109.5 . . ?
O3 C3 H3B 109.5 . . ?
O3 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O1 C5 C6 116.6(7) . . ?
O1 C5 C15 125.0(8) . . ?
C15 C5 C6 118.3(8) . . ?
O3 C6 C5 112.4(7) . . ?
C7 C6 O3 125.7(9) . . ?
C7 C6 C5 121.9(8) . . ?
C6 C7 H7A 120.0 . . ?
C6 C7 C44 120.1(9) . . ?
C44 C7 H7A 120.0 . . ?
C9 C8 C14 117.8(8) . . ?
C13 C8 C9 117.8(8) . . ?
C13 C8 C14 124.2(7) . . ?
C8 C9 H9A 119.3 . . ?
C10 C9 C8 121.3(8) . . ?
C10 C9 H9A 119.3 . . ?
C9 C10 H10 119.7 . . ?
C9 C10 C11 120.5(8) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.3(8) . . ?
C12 C11 H11 119.9 . . ?
O7 C12 C13 113.7(7) . . ?
C11 C12 O7 125.7(8) . . ?
C11 C12 C13 120.6(8) . . ?
O6 C13 C8 124.0(8) . . ?
O6 C13 C12 116.7(7) . . ?
C8 C13 C12 119.2(7) . . ?
N4 C14 C8 123.6(8) . . ?
N4 C14 H14 118.2 . . ?
C8 C14 H14 118.2 . . ?
C5 C15 C30 122.7(8) . . ?
C22 C15 C5 119.2(8) . . ?
C22 C15 C30 118.0(8) . . ?
C17 C16 N3 115.1(8) . . ?
C21 C16 N3 124.5(8) . . ?
C21 C16 C17 120.3(8) . . ?
C16 C17 N4 116.5(8) . . ?
C18 C17 N4 125.3(9) . . ?
C18 C17 C16 118.2(9) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.2(10) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 119.5 . . ?
C18 C19 C20 121.0(9) . . ?
C20 C19 H19 119.5 . . ?
C19 C20 H20 120.3 . . ?
C21 C20 C19 119.3(10) . . ?
C21 C20 H20 120.3 . . ?
C16 C21 H21 119.6 . . ?
C20 C21 C16 120.8(9) . . ?
C20 C21 H21 119.6 . . ?
C15 C22 H53 118.7 . . ?
C15 C22 C44 122.6(8) . . ?
C44 C22 H53 118.7 . . ?
N3 C23 H23 117.3 . . ?
N3 C23 C24 125.3(8) . . ?
C24 C23 H23 117.3 . . ?
C25 C24 C23 118.7(8) . . ?
C25 C24 C29 118.8(8) . . ?
C29 C24 C23 122.1(7) . . ?
C24 C25 H25 118.8 . . ?
C26 C25 C24 122.3(9) . . ?
C26 C25 H25 118.8 . . ?
C25 C26 H26 120.5 . . ?
C25 C26 C27 119.0(8) . . ?
C27 C26 H26 120.5 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.0(8) . . ?
C28 C27 H27 120.0 . . ?
O8 C28 C27 124.9(7) . . ?
O8 C28 C29 113.6(7) . . ?
C27 C28 C29 121.4(8) . . ?
O5 C29 C24 124.5(8) . . ?
O5 C29 C28 117.0(7) . . ?
C28 C29 C24 118.5(7) . . ?
N1 C30 C15 125.1(8) . . ?
N1 C30 H30A 117.5 . . ?
C15 C30 H30A 117.5 . . ?
O8 C31 H31A 109.5 . . ?
O8 C31 H31B 109.5 . . ?
O8 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 H32A 119.7 . . ?
C35 C32 H32A 119.7 . . ?
C35 C32 C33 120.7(9) . . ?
C32 C33 N2 124.9(8) . . ?
C32 C33 C4 119.3(8) . . ?
C4 C33 N2 115.7(8) . . ?
O7 C34 H34A 109.5 . . ?
O7 C34 H34B 109.5 . . ?
O7 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35 120.0 . . ?
C32 C35 C43 120.0(9) . . ?
C43 C35 H35 120.0 . . ?
C37 C36 C42 117.0(8) . . ?
C41 C36 C37 118.5(8) . . ?
C41 C36 C42 124.4(8) . . ?
C36 C37 H37 118.7 . . ?
C38 C37 C36 122.5(9) . . ?
C38 C37 H37 118.7 . . ?
C37 C38 H38 120.6 . . ?
C37 C38 C39 118.8(9) . . ?
C39 C38 H38 120.6 . . ?
C38 C39 H39 119.9 . . ?
C40 C39 C38 120.2(8) . . ?
C40 C39 H39 119.9 . . ?
O4 C40 C41 112.6(8) . . ?
C39 C40 O4 125.8(8) . . ?
C39 C40 C41 121.6(9) . . ?
O2 C41 C36 124.4(8) . . ?
O2 C41 C40 117.4(8) . . ?
C36 C41 C40 118.2(8) . . ?
N2 C42 C36 125.6(9) . . ?
N2 C42 H42 117.2 . . ?
C36 C42 H42 117.2 . . ?
C35 C43 H43 119.7 . . ?
C35 C43 C45 120.7(9) . . ?
C45 C43 H43 119.7 . . ?
C33 C4 N1 115.9(7) . . ?
C45 C4 N1 124.9(8) . . ?
C45 C4 C33 119.2(8) . . ?
C43 C45 H45 120.0 . . ?
C4 C45 C43 119.9(9) . . ?
C4 C45 H45 120.0 . . ?
C7 C44 H44 121.1 . . ?
C22 C44 C7 117.8(9) . . ?
C22 C44 H44 121.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 Zn1 O1 C5 172.2(7) . . . . ?
Dy1 Zn1 O2 C41 164.1(7) . . . . ?
Dy1 Zn1 N1 C30 54.5(7) . . . . ?
Dy1 Zn1 N1 C4 -137.6(5) . . . . ?
Dy1 Zn1 N2 C33 136.3(5) . . . . ?
Dy1 Zn1 N2 C42 -43.4(7) . . . . ?
Dy1 Zn2 O5 C29 176.2(8) . . . . ?
Dy1 Zn2 O6 C13 -171.6(7) . . . . ?
Dy1 Zn2 N3 C16 -133.8(6) . . . . ?
Dy1 Zn2 N3 C23 49.3(9) . . . . ?
Dy1 Zn2 N4 C14 -61.3(8) . . . . ?
Dy1 Zn2 N4 C17 134.5(6) . . . . ?
Dy1 O1 C5 C6 19.8(10) . . . . ?
Dy1 O1 C5 C15 -157.4(6) . . . . ?
Dy1 O2 C41 C36 145.8(6) . . . . ?
Dy1 O2 C41 C40 -31.3(9) . . . . ?
Dy1 O3 C6 C5 -11.8(8) . . . . ?
Dy1 O3 C6 C7 167.4(7) . . . . ?
Dy1 O4 C40 C39 -159.9(7) . . . . ?
Dy1 O4 C40 C41 19.4(8) . . . . ?
Dy1 O5 C29 C24 -157.1(7) . . . . ?
Dy1 O5 C29 C28 20.6(12) . . . . ?
Dy1 O6 C13 C8 160.8(7) . . . . ?
Dy1 O6 C13 C12 -20.8(11) . . . . ?
Dy1 O7 C12 C11 -171.9(7) . . . . ?
Dy1 O7 C12 C13 9.6(9) . . . . ?
Dy1 O8 C28 C27 164.0(8) . . . . ?
Dy1 O8 C28 C29 -13.6(9) . . . . ?
Br1 Zn1 O1 Dy1 -110.4(2) . . . . ?
Br1 Zn1 O1 C5 61.8(6) . . . . ?
Br1 Zn1 O2 Dy1 107.38(19) . . . . ?
Br1 Zn1 O2 C41 -88.5(6) . . . . ?
Br1 Zn1 N1 C30 -80.4(7) . . . . ?
Br1 Zn1 N1 C4 87.5(5) . . . . ?
Br1 Zn1 N2 C33 -79.4(5) . . . . ?
Br1 Zn1 N2 C42 100.9(7) . . . . ?
Br2 Zn2 O5 Dy1 -98.8(2) . . . . ?
Br2 Zn2 O5 C29 77.4(7) . . . . ?
Br2 Zn2 O6 Dy1 112.0(2) . . . . ?
Br2 Zn2 O6 C13 -59.6(6) . . . . ?
Br2 Zn2 N3 C16 84.0(6) . . . . ?
Br2 Zn2 N3 C23 -93.0(8) . . . . ?
Br2 Zn2 N4 C14 70.2(8) . . . . ?
Br2 Zn2 N4 C17 -94.0(7) . . . . ?
Zn1 Dy1 Zn2 Br2 56.96(19) . . . . ?
Zn1 Dy1 Zn2 O5 -45.4(3) . . . . ?
Zn1 Dy1 Zn2 O6 141.1(3) . . . . ?
Zn1 Dy1 Zn2 N3 -83.1(3) . . . . ?
Zn1 Dy1 Zn2 N4 -178.5(3) . . . . ?
Zn1 Dy1 O1 C5 -171.5(8) . . . . ?
Zn1 Dy1 O2 C41 -164.3(7) . . . . ?
Zn1 Dy1 O3 C3 -141.7(6) . . . . ?
Zn1 Dy1 O3 C6 29.3(5) . . . . ?
Zn1 Dy1 O4 C2 175.6(6) . . . . ?
Zn1 Dy1 O4 C40 -31.4(5) . . . . ?
Zn1 Dy1 O5 Zn2 171.04(7) . . . . ?
Zn1 Dy1 O5 C29 -5.0(8) . . . . ?
Zn1 Dy1 O6 Zn2 -169.08(10) . . . . ?
Zn1 Dy1 O6 C13 1.2(9) . . . . ?
Zn1 Dy1 O7 C12 158.9(5) . . . . ?
Zn1 Dy1 O7 C34 9.4(6) . . . . ?
Zn1 Dy1 O8 C28 -154.3(6) . . . . ?
Zn1 Dy1 O8 C31 37.6(7) . . . . ?
Zn1 Dy1 O9 C1 150.7(7) . . . . ?
Zn1 O1 C5 C6 -150.9(6) . . . . ?
Zn1 O1 C5 C15 31.9(10) . . . . ?
Zn1 O2 C41 C36 -15.8(10) . . . . ?
Zn1 O2 C41 C40 167.1(5) . . . . ?
Zn1 N1 C30 C15 -12.7(12) . . . . ?
Zn1 N1 C4 C33 15.0(9) . . . . ?
Zn1 N1 C4 C45 -164.3(7) . . . . ?
Zn1 N2 C33 C32 156.9(7) . . . . ?
Zn1 N2 C33 C4 -20.1(9) . . . . ?
Zn1 N2 C42 C36 4.3(12) . . . . ?
Zn2 Dy1 Zn1 Br1 22.7(2) . . . . ?
Zn2 Dy1 Zn1 O1 -66.2(3) . . . . ?
Zn2 Dy1 Zn1 O2 117.2(3) . . . . ?
Zn2 Dy1 Zn1 N1 -103.9(3) . . . . ?
Zn2 Dy1 Zn1 N2 162.7(3) . . . . ?
Zn2 Dy1 O1 Zn1 167.89(7) . . . . ?
Zn2 Dy1 O1 C5 -3.6(7) . . . . ?
Zn2 Dy1 O2 Zn1 -165.99(8) . . . . ?
Zn2 Dy1 O2 C41 29.7(7) . . . . ?
Zn2 Dy1 O3 C3 32.9(6) . . . . ?
Zn2 Dy1 O3 C6 -156.0(5) . . . . ?
Zn2 Dy1 O4 C2 3.2(6) . . . . ?
Zn2 Dy1 O4 C40 156.2(5) . . . . ?
Zn2 Dy1 O5 C29 -176.0(9) . . . . ?
Zn2 Dy1 O6 C13 170.3(9) . . . . ?
Zn2 Dy1 O7 C12 -28.1(5) . . . . ?
Zn2 Dy1 O7 C34 -177.7(6) . . . . ?
Zn2 Dy1 O8 C28 29.0(5) . . . . ?
Zn2 Dy1 O8 C31 -139.1(7) . . . . ?
Zn2 Dy1 O9 C1 -28.6(7) . . . . ?
Zn2 O5 C29 C24 27.4(12) . . . . ?
Zn2 O5 C29 C28 -154.9(6) . . . . ?
Zn2 O6 C13 C8 -29.7(11) . . . . ?
Zn2 O6 C13 C12 148.7(6) . . . . ?
Zn2 N3 C16 C17 13.8(11) . . . . ?
Zn2 N3 C16 C21 -163.7(9) . . . . ?
Zn2 N3 C23 C24 -7.5(15) . . . . ?
Zn2 N4 C14 C8 16.5(13) . . . . ?
Zn2 N4 C17 C16 -14.1(12) . . . . ?
Zn2 N4 C17 C18 167.7(10) . . . . ?
O1 Dy1 Zn1 Br1 88.9(3) . . . . ?
O1 Dy1 Zn1 O2 -176.5(4) . . . . ?
O1 Dy1 Zn1 N1 -37.7(3) . . . . ?
O1 Dy1 Zn1 N2 -131.1(3) . . . . ?
O1 Dy1 Zn2 Br2 0.7(2) . . . . ?
O1 Dy1 Zn2 O5 -101.7(4) . . . . ?
O1 Dy1 Zn2 O6 84.8(4) . . . . ?
O1 Dy1 Zn2 N3 -139.4(3) . . . . ?
O1 Dy1 Zn2 N4 125.3(3) . . . . ?
O1 Dy1 O2 Zn1 2.1(2) . . . . ?
O1 Dy1 O2 C41 -162.2(6) . . . . ?
O1 Dy1 O3 C3 -156.1(7) . . . . ?
O1 Dy1 O3 C6 15.0(5) . . . . ?
O1 Dy1 O4 C2 169.9(6) . . . . ?
O1 Dy1 O4 C40 -37.1(6) . . . . ?
O1 Dy1 O5 Zn2 119.7(3) . . . . ?
O1 Dy1 O5 C29 -56.3(8) . . . . ?
O1 Dy1 O6 Zn2 -128.8(3) . . . . ?
O1 Dy1 O6 C13 41.5(8) . . . . ?
O1 Dy1 O7 C12 -175.0(6) . . . . ?
O1 Dy1 O7 C34 35.4(6) . . . . ?
O1 Dy1 O8 C28 172.4(6) . . . . ?
O1 Dy1 O8 C31 4.4(7) . . . . ?
O1 Dy1 O9 C1 -179.6(7) . . . . ?
O1 Zn1 O2 Dy1 -2.1(2) . . . . ?
O1 Zn1 O2 C41 162.0(6) . . . . ?
O1 Zn1 N1 C30 32.9(7) . . . . ?
O1 Zn1 N1 C4 -159.2(5) . . . . ?
O1 Zn1 N2 C33 94.7(6) . . . . ?
O1 Zn1 N2 C42 -85.1(8) . . . . ?
O1 C5 C6 O3 -2.3(10) . . . . ?
O1 C5 C6 C7 178.5(7) . . . . ?
O1 C5 C15 C22 179.4(8) . . . . ?
O1 C5 C15 C30 3.0(13) . . . . ?
O2 Dy1 Zn1 Br1 -94.5(2) . . . . ?
O2 Dy1 Zn1 O1 176.5(4) . . . . ?
O2 Dy1 Zn1 N1 138.8(3) . . . . ?
O2 Dy1 Zn1 N2 45.5(3) . . . . ?
O2 Dy1 Zn2 Br2 162.3(3) . . . . ?
O2 Dy1 Zn2 O5 59.9(4) . . . . ?
O2 Dy1 Zn2 O6 -113.6(4) . . . . ?
O2 Dy1 Zn2 N3 22.2(4) . . . . ?
O2 Dy1 Zn2 N4 -73.2(4) . . . . ?
O2 Dy1 O1 Zn1 -2.1(2) . . . . ?
O2 Dy1 O1 C5 -173.6(7) . . . . ?
O2 Dy1 O3 C3 -128.6(6) . . . . ?
O2 Dy1 O3 C6 42.5(5) . . . . ?
O2 Dy1 O4 C2 -177.0(7) . . . . ?
O2 Dy1 O4 C40 -24.0(5) . . . . ?
O2 Dy1 O5 Zn2 -147.4(2) . . . . ?
O2 Dy1 O5 C29 36.6(8) . . . . ?
O2 Dy1 O6 Zn2 122.9(3) . . . . ?
O2 Dy1 O6 C13 -66.8(8) . . . . ?
O2 Dy1 O7 C12 130.6(5) . . . . ?
O2 Dy1 O7 C34 -18.9(7) . . . . ?
O2 Dy1 O8 C28 -121.0(6) . . . . ?
O2 Dy1 O8 C31 71.0(7) . . . . ?
O2 Dy1 O9 C1 122.0(7) . . . . ?
O2 Zn1 O1 Dy1 2.2(2) . . . . ?
O2 Zn1 O1 C5 174.5(6) . . . . ?
O2 Zn1 N1 C30 94.3(7) . . . . ?
O2 Zn1 N1 C4 -97.8(6) . . . . ?
O2 Zn1 N2 C33 162.8(5) . . . . ?
O2 Zn1 N2 C42 -17.0(7) . . . . ?
O3 Dy1 Zn1 Br1 65.09(13) . . . . ?
O3 Dy1 Zn1 O1 -23.9(3) . . . . ?
O3 Dy1 Zn1 O2 159.6(3) . . . . ?
O3 Dy1 Zn1 N1 -61.6(3) . . . . ?
O3 Dy1 Zn1 N2 -154.9(3) . . . . ?
O3 Dy1 Zn2 Br2 14.10(13) . . . . ?
O3 Dy1 Zn2 O5 -88.3(3) . . . . ?
O3 Dy1 Zn2 O6 98.2(3) . . . . ?
O3 Dy1 Zn2 N3 -126.0(3) . . . . ?
O3 Dy1 Zn2 N4 138.7(3) . . . . ?
O3 Dy1 O1 Zn1 152.9(3) . . . . ?
O3 Dy1 O1 C5 -18.6(6) . . . . ?
O3 Dy1 O2 Zn1 -24.6(3) . . . . ?
O3 Dy1 O2 C41 171.1(5) . . . . ?
O3 Dy1 O4 C2 75.4(7) . . . . ?
O3 Dy1 O4 C40 -131.6(5) . . . . ?
O3 Dy1 O5 Zn2 87.0(3) . . . . ?
O3 Dy1 O5 C29 -89.0(7) . . . . ?
O3 Dy1 O6 Zn2 -78.7(3) . . . . ?
O3 Dy1 O6 C13 91.6(7) . . . . ?
O3 Dy1 O7 C12 -109.4(6) . . . . ?
O3 Dy1 O7 C34 101.0(7) . . . . ?
O3 Dy1 O8 C28 109.1(6) . . . . ?
O3 Dy1 O8 C31 -59.0(7) . . . . ?
O3 Dy1 O9 C1 -114.3(7) . . . . ?
O3 C6 C7 C44 -175.9(8) . . . . ?
O4 Dy1 Zn1 Br1 -82.60(14) . . . . ?
O4 Dy1 Zn1 O1 -171.5(3) . . . . ?
O4 Dy1 Zn1 O2 11.9(3) . . . . ?
O4 Dy1 Zn1 N1 150.7(3) . . . . ?
O4 Dy1 Zn1 N2 57.4(3) . . . . ?
O4 Dy1 Zn2 Br2 162.63(14) . . . . ?
O4 Dy1 Zn2 O5 60.3(3) . . . . ?
O4 Dy1 Zn2 O6 -113.3(3) . . . . ?
O4 Dy1 Zn2 N3 22.5(3) . . . . ?
O4 Dy1 Zn2 N4 -72.8(3) . . . . ?
O4 Dy1 O1 Zn1 10.5(4) . . . . ?
O4 Dy1 O1 C5 -161.1(6) . . . . ?
O4 Dy1 O2 Zn1 -166.4(3) . . . . ?
O4 Dy1 O2 C41 29.3(5) . . . . ?
O4 Dy1 O3 C3 -41.2(8) . . . . ?
O4 Dy1 O3 C6 129.8(5) . . . . ?
O4 Dy1 O5 Zn2 -114.8(3) . . . . ?
O4 Dy1 O5 C29 69.2(7) . . . . ?
O4 Dy1 O6 Zn2 69.3(3) . . . . ?
O4 Dy1 O6 C13 -120.4(7) . . . . ?
O4 Dy1 O7 C12 60.1(6) . . . . ?
O4 Dy1 O7 C34 -89.5(7) . . . . ?
O4 Dy1 O8 C28 -59.1(6) . . . . ?
O4 Dy1 O8 C31 132.9(7) . . . . ?
O4 Dy1 O9 C1 57.1(7) . . . . ?
O4 C40 C41 O2 3.6(10) . . . . ?
O4 C40 C41 C36 -173.7(7) . . . . ?
O5 Dy1 Zn1 Br1 -15.4(3) . . . . ?
O5 Dy1 Zn1 O1 -104.3(4) . . . . ?
O5 Dy1 Zn1 O2 79.1(3) . . . . ?
O5 Dy1 Zn1 N1 -142.1(3) . . . . ?
O5 Dy1 Zn1 N2 124.6(3) . . . . ?
O5 Dy1 Zn2 Br2 102.4(3) . . . . ?
O5 Dy1 Zn2 O6 -173.5(4) . . . . ?
O5 Dy1 Zn2 N3 -37.7(4) . . . . ?
O5 Dy1 Zn2 N4 -133.1(4) . . . . ?
O5 Dy1 O1 Zn1 115.8(3) . . . . ?
O5 Dy1 O1 C5 -55.8(7) . . . . ?
O5 Dy1 O2 Zn1 -130.5(2) . . . . ?
O5 Dy1 O2 C41 65.3(6) . . . . ?
O5 Dy1 O3 C3 -0.3(6) . . . . ?
O5 Dy1 O3 C6 170.7(5) . . . . ?
O5 Dy1 O4 C2 32.8(6) . . . . ?
O5 Dy1 O4 C40 -174.3(5) . . . . ?
O5 Dy1 O6 Zn2 3.9(2) . . . . ?
O5 Dy1 O6 C13 174.2(8) . . . . ?
O5 Dy1 O7 C12 -39.3(6) . . . . ?
O5 Dy1 O7 C34 171.1(6) . . . . ?
O5 Dy1 O8 C28 16.3(5) . . . . ?
O5 Dy1 O8 C31 -151.7(7) . . . . ?
O5 Dy1 O9 C1 -0.6(8) . . . . ?
O5 Zn2 O6 Dy1 -4.1(3) . . . . ?
O5 Zn2 O6 C13 -175.7(6) . . . . ?
O5 Zn2 N3 C16 -155.8(6) . . . . ?
O5 Zn2 N3 C23 27.2(9) . . . . ?
O5 Zn2 N4 C14 -103.2(8) . . . . ?
O5 Zn2 N4 C17 92.6(7) . . . . ?
O6 Dy1 Zn1 Br1 154.3(3) . . . . ?
O6 Dy1 Zn1 O1 65.4(4) . . . . ?
O6 Dy1 Zn1 O2 -111.2(4) . . . . ?
O6 Dy1 Zn1 N1 27.6(4) . . . . ?
O6 Dy1 Zn1 N2 -65.7(4) . . . . ?
O6 Dy1 Zn2 Br2 -84.1(3) . . . . ?
O6 Dy1 Zn2 O5 173.5(4) . . . . ?
O6 Dy1 Zn2 N3 135.8(4) . . . . ?
O6 Dy1 Zn2 N4 40.5(4) . . . . ?
O6 Dy1 O1 Zn1 -147.3(2) . . . . ?
O6 Dy1 O1 C5 41.2(7) . . . . ?
O6 Dy1 O2 Zn1 129.5(3) . . . . ?
O6 Dy1 O2 C41 -34.8(7) . . . . ?
O6 Dy1 O3 C3 65.3(6) . . . . ?
O6 Dy1 O3 C6 -123.6(5) . . . . ?
O6 Dy1 O4 C2 -27.2(6) . . . . ?
O6 Dy1 O4 C40 125.7(5) . . . . ?
O6 Dy1 O5 Zn2 -3.8(2) . . . . ?
O6 Dy1 O5 C29 -179.8(8) . . . . ?
O6 Dy1 O7 C12 -13.3(5) . . . . ?
O6 Dy1 O7 C34 -162.9(7) . . . . ?
O6 Dy1 O8 C28 38.3(6) . . . . ?
O6 Dy1 O8 C31 -129.7(7) . . . . ?
O6 Dy1 O9 C1 -51.7(7) . . . . ?
O6 Zn2 O5 Dy1 4.1(3) . . . . ?
O6 Zn2 O5 C29 -179.7(7) . . . . ?
O6 Zn2 N3 C16 -92.3(7) . . . . ?
O6 Zn2 N3 C23 90.7(9) . . . . ?
O6 Zn2 N4 C14 -37.9(8) . . . . ?
O6 Zn2 N4 C17 157.9(7) . . . . ?
O7 Dy1 Zn1 Br1 139.37(14) . . . . ?
O7 Dy1 Zn1 O1 50.4(3) . . . . ?
O7 Dy1 Zn1 O2 -126.1(3) . . . . ?
O7 Dy1 Zn1 N1 12.7(3) . . . . ?
O7 Dy1 Zn1 N2 -80.6(3) . . . . ?
O7 Dy1 Zn2 Br2 -59.85(14) . . . . ?
O7 Dy1 Zn2 O5 -162.2(3) . . . . ?
O7 Dy1 Zn2 O6 24.3(3) . . . . ?
O7 Dy1 Zn2 N3 160.0(3) . . . . ?
O7 Dy1 Zn2 N4 64.7(3) . . . . ?
O7 Dy1 O1 Zn1 -126.2(3) . . . . ?
O7 Dy1 O1 C5 62.3(6) . . . . ?
O7 Dy1 O2 Zn1 60.1(3) . . . . ?
O7 Dy1 O2 C41 -104.2(6) . . . . ?
O7 Dy1 O3 C3 125.7(6) . . . . ?
O7 Dy1 O3 C6 -63.2(5) . . . . ?
O7 Dy1 O4 C2 -85.8(7) . . . . ?
O7 Dy1 O4 C40 67.2(6) . . . . ?
O7 Dy1 O5 Zn2 21.0(4) . . . . ?
O7 Dy1 O5 C29 -155.0(6) . . . . ?
O7 Dy1 O6 Zn2 -151.9(4) . . . . ?
O7 Dy1 O6 C13 18.4(6) . . . . ?
O7 Dy1 O8 C28 122.8(5) . . . . ?
O7 Dy1 O8 C31 -45.2(8) . . . . ?
O7 Dy1 O9 C1 -116.2(7) . . . . ?
O7 C12 C13 O6 3.5(11) . . . . ?
O7 C12 C13 C8 -178.0(8) . . . . ?
O8 Dy1 Zn1 Br1 -2.20(14) . . . . ?
O8 Dy1 Zn1 O1 -91.1(3) . . . . ?
O8 Dy1 Zn1 O2 92.3(3) . . . . ?
O8 Dy1 Zn1 N1 -128.9(3) . . . . ?
O8 Dy1 Zn1 N2 137.8(3) . . . . ?
O8 Dy1 Zn2 Br2 81.53(14) . . . . ?
O8 Dy1 Zn2 O5 -20.8(3) . . . . ?
O8 Dy1 Zn2 O6 165.7(3) . . . . ?
O8 Dy1 Zn2 N3 -58.6(3) . . . . ?
O8 Dy1 Zn2 N4 -153.9(3) . . . . ?
O8 Dy1 O1 Zn1 83.7(3) . . . . ?
O8 Dy1 O1 C5 -87.8(6) . . . . ?
O8 Dy1 O2 Zn1 -82.7(2) . . . . ?
O8 Dy1 O2 C41 113.0(6) . . . . ?
O8 Dy1 O3 C3 -63.2(6) . . . . ?
O8 Dy1 O3 C6 107.8(5) . . . . ?
O8 Dy1 O4 C2 96.0(6) . . . . ?
O8 Dy1 O4 C40 -111.0(5) . . . . ?
O8 Dy1 O5 Zn2 156.3(3) . . . . ?
O8 Dy1 O5 C29 -19.7(7) . . . . ?
O8 Dy1 O6 Zn2 -17.4(4) . . . . ?
O8 Dy1 O6 C13 152.9(6) . . . . ?
O8 Dy1 O7 C12 -122.7(5) . . . . ?
O8 Dy1 O7 C34 87.7(7) . . . . ?
O8 Dy1 O9 C1 78.4(8) . . . . ?
O8 C28 C29 O5 -1.4(12) . . . . ?
O8 C28 C29 C24 176.5(8) . . . . ?
O9 Dy1 Zn1 Br1 -152.20(15) . . . . ?
O9 Dy1 Zn1 O1 118.9(3) . . . . ?
O9 Dy1 Zn1 O2 -57.7(3) . . . . ?
O9 Dy1 Zn1 N1 81.1(3) . . . . ?
O9 Dy1 Zn1 N2 -12.2(3) . . . . ?
O9 Dy1 Zn2 Br2 -128.15(16) . . . . ?
O9 Dy1 Zn2 O5 129.5(3) . . . . ?
O9 Dy1 Zn2 O6 -44.0(3) . . . . ?
O9 Dy1 Zn2 N3 91.7(3) . . . . ?
O9 Dy1 Zn2 N4 -3.6(3) . . . . ?
O9 Dy1 O1 Zn1 -65.6(3) . . . . ?
O9 Dy1 O1 C5 122.9(6) . . . . ?
O9 Dy1 O2 Zn1 118.3(3) . . . . ?
O9 Dy1 O2 C41 -46.0(6) . . . . ?
O9 Dy1 O3 C3 123.9(6) . . . . ?
O9 Dy1 O3 C6 -65.1(6) . . . . ?
O9 Dy1 O4 C2 -94.9(6) . . . . ?
O9 Dy1 O4 C40 58.0(5) . . . . ?
O9 Dy1 O5 Zn2 -58.9(3) . . . . ?
O9 Dy1 O5 C29 125.1(7) . . . . ?
O9 Dy1 O6 Zn2 134.0(3) . . . . ?
O9 Dy1 O6 C13 -55.7(7) . . . . ?
O9 Dy1 O7 C12 69.4(6) . . . . ?
O9 Dy1 O7 C34 -80.2(7) . . . . ?
O9 Dy1 O8 C28 -79.2(7) . . . . ?
O9 Dy1 O8 C31 112.7(7) . . . . ?
N1 Zn1 O1 Dy1 146.6(3) . . . . ?
N1 Zn1 O1 C5 -41.2(6) . . . . ?
N1 Zn1 O2 Dy1 -66.9(5) . . . . ?
N1 Zn1 O2 C41 97.2(7) . . . . ?
N1 Zn1 N2 C33 21.7(5) . . . . ?
N1 Zn1 N2 C42 -158.0(7) . . . . ?
N1 C4 C45 C43 175.4(8) . . . . ?
N2 Zn1 O1 Dy1 75.7(4) . . . . ?
N2 Zn1 O1 C5 -112.1(6) . . . . ?
N2 Zn1 O2 Dy1 -141.5(3) . . . . ?
N2 Zn1 O2 C41 22.7(6) . . . . ?
N2 Zn1 N1 C30 172.2(7) . . . . ?
N2 Zn1 N1 C4 -19.9(5) . . . . ?
N2 C33 C4 N1 2.9(10) . . . . ?
N2 C33 C4 C45 -177.7(7) . . . . ?
N3 Zn2 O5 Dy1 147.5(3) . . . . ?
N3 Zn2 O5 C29 -36.3(7) . . . . ?
N3 Zn2 O6 Dy1 -71.6(5) . . . . ?
N3 Zn2 O6 C13 116.8(6) . . . . ?
N3 Zn2 N4 C14 -179.1(8) . . . . ?
N3 Zn2 N4 C17 16.6(7) . . . . ?
N3 C16 C17 N4 0.3(14) . . . . ?
N3 C16 C17 C18 178.6(10) . . . . ?
N3 C16 C21 C20 179.9(12) . . . . ?
N3 C23 C24 C25 171.2(11) . . . . ?
N3 C23 C24 C29 -15.8(17) . . . . ?
N4 Zn2 O5 Dy1 73.8(4) . . . . ?
N4 Zn2 O5 C29 -109.9(7) . . . . ?
N4 Zn2 O6 Dy1 -145.1(3) . . . . ?
N4 Zn2 O6 C13 43.4(6) . . . . ?
N4 Zn2 N3 C16 -16.5(6) . . . . ?
N4 Zn2 N3 C23 166.5(9) . . . . ?
N4 C17 C18 C19 -179.2(12) . . . . ?
C2 O4 C40 C39 -3.8(12) . . . . ?
C2 O4 C40 C41 175.6(7) . . . . ?
C3 O3 C6 C5 160.3(7) . . . . ?
C3 O3 C6 C7 -20.5(11) . . . . ?
C5 C6 C7 C44 3.2(12) . . . . ?
C5 C15 C22 C44 0.5(13) . . . . ?
C5 C15 C30 N1 -13.7(13) . . . . ?
C6 C5 C15 C22 2.1(12) . . . . ?
C6 C5 C15 C30 -174.2(8) . . . . ?
C6 C7 C44 C22 -0.5(12) . . . . ?
C8 C9 C10 C11 5.6(15) . . . . ?
C9 C8 C13 O6 178.0(8) . . . . ?
C9 C8 C13 C12 -0.4(13) . . . . ?
C9 C8 C14 N4 -170.3(9) . . . . ?
C9 C10 C11 C12 -2.5(15) . . . . ?
C10 C11 C12 O7 179.6(9) . . . . ?
C10 C11 C12 C13 -2.1(14) . . . . ?
C11 C12 C13 O6 -175.0(8) . . . . ?
C11 C12 C13 C8 3.4(13) . . . . ?
C13 C8 C9 C10 -4.1(14) . . . . ?
C13 C8 C14 N4 14.6(15) . . . . ?
C14 N4 C17 C16 -178.0(10) . . . . ?
C14 N4 C17 C18 3.8(18) . . . . ?
C14 C8 C9 C10 -179.5(9) . . . . ?
C14 C8 C13 O6 -6.9(14) . . . . ?
C14 C8 C13 C12 174.7(9) . . . . ?
C15 C5 C6 O3 175.2(7) . . . . ?
C15 C5 C6 C7 -4.1(12) . . . . ?
C15 C22 C44 C7 -1.4(13) . . . . ?
C16 N3 C23 C24 175.8(9) . . . . ?
C16 C17 C18 C19 2.7(19) . . . . ?
C17 N4 C14 C8 178.7(9) . . . . ?
C17 C16 C21 C20 2.6(19) . . . . ?
C17 C18 C19 C20 0(2) . . . . ?
C18 C19 C20 C21 -1(2) . . . . ?
C19 C20 C21 C16 0(2) . . . . ?
C21 C16 C17 N4 177.9(10) . . . . ?
C21 C16 C17 C18 -3.8(17) . . . . ?
C22 C15 C30 N1 169.9(8) . . . . ?
C23 N3 C16 C17 -169.1(10) . . . . ?
C23 N3 C16 C21 13.4(16) . . . . ?
C23 C24 C25 C26 175.0(11) . . . . ?
C23 C24 C29 O5 4.8(15) . . . . ?
C23 C24 C29 C28 -173.0(9) . . . . ?
C24 C25 C26 C27 -2.4(18) . . . . ?
C25 C24 C29 O5 177.8(10) . . . . ?
C25 C24 C29 C28 0.0(15) . . . . ?
C25 C26 C27 C28 1.2(17) . . . . ?
C26 C27 C28 O8 -176.8(9) . . . . ?
C26 C27 C28 C29 0.5(15) . . . . ?
C27 C28 C29 O5 -179.0(9) . . . . ?
C27 C28 C29 C24 -1.1(14) . . . . ?
C29 C24 C25 C26 1.8(17) . . . . ?
C30 N1 C4 C33 -177.1(8) . . . . ?
C30 N1 C4 C45 3.6(13) . . . . ?
C30 C15 C22 C44 177.0(8) . . . . ?
C31 O8 C28 C27 -26.4(13) . . . . ?
C31 O8 C28 C29 156.1(8) . . . . ?
C32 C33 C4 N1 -174.3(7) . . . . ?
C32 C33 C4 C45 5.1(12) . . . . ?
C32 C35 C43 C45 1.6(14) . . . . ?
C33 N2 C42 C36 -175.4(7) . . . . ?
C33 C32 C35 C43 -0.4(14) . . . . ?
C33 C4 C45 C43 -3.9(13) . . . . ?
C34 O7 C12 C11 -18.3(12) . . . . ?
C34 O7 C12 C13 163.2(8) . . . . ?
C35 C32 C33 N2 -179.9(8) . . . . ?
C35 C32 C33 C4 -3.0(13) . . . . ?
C35 C43 C45 C4 0.6(14) . . . . ?
C36 C37 C38 C39 2.8(14) . . . . ?
C37 C36 C41 O2 179.6(7) . . . . ?
C37 C36 C41 C40 -3.3(11) . . . . ?
C37 C36 C42 N2 -173.0(8) . . . . ?
C37 C38 C39 C40 -0.4(14) . . . . ?
C38 C39 C40 O4 175.4(8) . . . . ?
C38 C39 C40 C41 -3.8(13) . . . . ?
C39 C40 C41 O2 -177.0(8) . . . . ?
C39 C40 C41 C36 5.7(12) . . . . ?
C41 C36 C37 C38 -0.8(12) . . . . ?
C41 C36 C42 N2 11.6(13) . . . . ?
C42 N2 C33 C32 -23.3(13) . . . . ?
C42 N2 C33 C4 159.7(8) . . . . ?
C42 C36 C37 C38 -176.5(8) . . . . ?
C42 C36 C41 O2 -5.1(12) . . . . ?
C42 C36 C41 C40 172.0(7) . . . . ?
C4 N1 C30 C15 -178.9(8) . . . . ?

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 974437'
_audit_update_record             
;
2014-09-09 deposited with the CCDC.
2015-10-09 downloaded from the CCDC.
;
_audit_creation_date             2013-06-15
_audit_creation_method           
;
  Olex2 1.2
  (compiled Dec  5 2012 16:20:19, GUI svn.r4385)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '2(C44 H38 Br2 Dy N4 O9 Zn2), Br4 Zn'
_chemical_formula_sum            'C88 H76 Br8 Dy2 N8 O18 Zn5'
_chemical_formula_weight         2824.70
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N Dy'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.6367(6)
_cell_length_b                   16.8613(8)
_cell_length_c                   23.4058(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.117(5)
_cell_angle_gamma                90.00
_cell_volume                     4836.5(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    180.00(10)
_cell_measurement_theta_max      27.7010
_cell_measurement_theta_min      3.4430
_exptl_absorpt_coefficient_mu    6.116
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.940
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2732
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0713
_diffrn_reflns_av_unetI/netI     0.0849
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            34215
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.46
_diffrn_reflns_theta_min         2.93
_diffrn_ambient_temperature      180.00(10)
_diffrn_detector_area_resol_mean 10.3914
_diffrn_measured_fraction_theta_full 0.9980
_diffrn_measured_fraction_theta_max 0.8545
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -2.00   25.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -        8.7950 -115.0000 -123.0000 27

#__ type_ start__ end____ width___ exp.time_
  2 omega   20.00   50.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -        8.7950  -99.0000  -60.0000 30

#__ type_ start__ end____ width___ exp.time_
  3 omega  -54.00  -27.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -        8.7950  -38.0000 -120.0000 27

#__ type_ start__ end____ width___ exp.time_
  4 omega    7.00   85.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -        8.7950   38.0000  -90.0000 78

#__ type_ start__ end____ width___ exp.time_
  5 omega  -67.00   55.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -        8.7950  -19.0000  -90.0000 122
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0456683000
_diffrn_orient_matrix_UB_12      -0.0197683000
_diffrn_orient_matrix_UB_13      0.0059587000
_diffrn_orient_matrix_UB_21      -0.0273557000
_diffrn_orient_matrix_UB_22      0.0021169000
_diffrn_orient_matrix_UB_23      -0.0302794000
_diffrn_orient_matrix_UB_31      0.0227576000
_diffrn_orient_matrix_UB_32      -0.0370711000
_diffrn_orient_matrix_UB_33      -0.0049310000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                7012
_reflns_number_total             10425
_reflns_odcompleteness_completeness 99.80
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     24.97
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SUPERFLIP, J. Appl. Cryst. (2007) 40, 786-790'
_refine_diff_density_max         2.254
_refine_diff_density_min         -1.295
_refine_diff_density_rms         0.178
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     603
_refine_ls_number_reflns         10425
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0937
_refine_ls_R_factor_gt           0.0517
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0512P)²+11.3758P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1127
_refine_ls_wR_factor_ref         0.1346
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  H35 of C35, H36 of C36, H41 of C41, H25 of C25, H26 of C26, H27 of C27, H28
  of C28, H30 of C30, H31 of C31, H32 of C32, H2 of C2, H22 of C22, H21 of C21,
  H20 of C20, H19 of C19, H18 of C18, H17 of C17, H12 of C12, H11 of C11, H10
  of C10, H9 of C9, H44 of C44, H5 of C5, H4 of C4
 At 1.5 times of:
  {H24A,H24B,H24C} of C24, {H3A,H3B,H3C} of C3, {H1A,H1B,H1C} of C1, {H8A,H8B,
  H8C} of C8
2. Others
 Fixed Sof: Zn3(0.5) Br4(0.5) Br5(0.5)
3.a Me refined with riding coordinates:
 C1(H1A,H1B,H1C), C3(H3A,H3B,H3C), C8(H8A,H8B,H8C), C24(H24A,H24B,H24C)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C44(H44), C9(H9), C10(H10), C11(H11), C12(H12),
 C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C25(H25), C26(H26),
  C27(H27), C28(H28), C30(H30), C31(H31), C32(H32), C35(H35), C36(H36), C41(H41)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.71498(3) 0.213562(19) 0.338135(14) 0.02251(11) Uani 1 1 d . . .
Zn3 Zn 0.62148(15) 0.51069(11) 0.51741(8) 0.0341(4) Uani 0.50 1 d P . .
Zn1 Zn 0.68290(7) 0.13572(5) 0.47257(4) 0.0290(2) Uani 1 1 d . . .
Zn2 Zn 0.72316(6) 0.28869(5) 0.20227(3) 0.02226(19) Uani 1 1 d . . .
Br1 Br 0.79915(6) 0.03598(4) 0.52800(3) 0.03089(19) Uani 1 1 d . . .
Br2 Br 0.80116(7) 0.41375(4) 0.23565(3) 0.03408(19) Uani 1 1 d . . .
Br3 Br 0.49424(8) 0.60780(6) 0.47446(4) 0.0524(3) Uani 1 1 d . . .
Br4 Br 0.72803(14) 0.49261(10) 0.44670(7) 0.0399(4) Uani 0.50 1 d P . .
Br5 Br 0.7358(2) 0.54198(17) 0.61127(9) 0.0867(9) Uani 0.50 1 d P . .
O4 O 0.9157(4) 0.2693(3) 0.3928(2) 0.0329(12) Uani 1 1 d . . .
O8 O 0.8577(4) 0.1055(3) 0.3462(2) 0.0250(11) Uani 1 1 d . . .
O3 O 0.6004(4) 0.1057(3) 0.2728(2) 0.0309(12) Uani 1 1 d . . .
O7 O 0.5275(4) 0.2667(3) 0.3390(2) 0.0291(11) Uani 1 1 d . . .
O2 O 0.7631(4) 0.2202(3) 0.4384(2) 0.0279(11) Uani 1 1 d . . .
O5 O 0.8002(4) 0.2051(3) 0.2621(2) 0.0236(11) Uani 1 1 d . . .
O9 O 0.7211(4) 0.3548(3) 0.3509(3) 0.0325(13) Uani 1 1 d . . .
H9A H 0.722(6) 0.388(5) 0.380(4) 0.04(2) Uiso 1 1 d . . .
H9B H 0.737(8) 0.386(6) 0.325(4) 0.06(3) Uiso 1 1 d . . .
O1 O 0.6270(4) 0.1198(3) 0.3832(2) 0.0277(11) Uani 1 1 d . . .
O6 O 0.6149(4) 0.2694(3) 0.2515(2) 0.0232(10) Uani 1 1 d . . .
C1 C 0.4977(7) 0.2898(6) 0.3921(3) 0.051(3) Uani 1 1 d . . .
H1A H 0.4235 0.3080 0.3826 0.077 Uiso 1 1 calc R . .
H1B H 0.5449 0.3317 0.4109 0.077 Uiso 1 1 calc R . .
H1C H 0.5049 0.2451 0.4181 0.077 Uiso 1 1 calc R . .
C2 C 0.3440(7) 0.0482(6) 0.3427(4) 0.050(2) Uani 1 1 d . . .
H2 H 0.2869 0.0347 0.3594 0.060 Uiso 1 1 calc R . .
C3 C 0.5887(7) 0.0978(5) 0.2098(3) 0.039(2) Uani 1 1 d . . .
H3A H 0.5424 0.0535 0.1953 0.059 Uiso 1 1 calc R . .
H3B H 0.6592 0.0895 0.2022 0.059 Uiso 1 1 calc R . .
H3C H 0.5569 0.1453 0.1903 0.059 Uiso 1 1 calc R . .
C4 C 0.4460(8) 0.1200(7) 0.6219(4) 0.059(3) Uani 1 1 d . . .
H4 H 0.3974 0.0962 0.6407 0.071 Uiso 1 1 calc R . .
C5 C 0.7125(7) 0.2887(5) -0.0204(3) 0.0361(19) Uani 1 1 d . . .
H5 H 0.7393 0.2823 -0.0538 0.043 Uiso 1 1 calc R . .
C44 C 0.9751(6) 0.0334(4) 0.2950(3) 0.0326(18) Uani 1 1 d . . .
H44 H 1.0014 -0.0003 0.3267 0.039 Uiso 1 1 calc R . .
C6 C 0.5948(7) 0.1905(5) 0.5680(4) 0.040(2) Uani 1 1 d . . .
C7 C 0.8318(6) 0.2720(4) 0.4714(3) 0.0286(17) Uani 1 1 d . . .
C8 C 0.9913(6) 0.3024(6) 0.3621(4) 0.046(2) Uani 1 1 d . . .
H8A H 1.0568 0.3183 0.3901 0.069 Uiso 1 1 calc R . .
H8B H 0.9588 0.3477 0.3397 0.069 Uiso 1 1 calc R . .
H8C H 1.0086 0.2632 0.3360 0.069 Uiso 1 1 calc R . .
C9 C 0.3289(7) 0.0409(6) 0.2847(5) 0.055(3) Uani 1 1 d . . .
H9 H 0.2615 0.0248 0.2616 0.066 Uiso 1 1 calc R . .
C10 C 0.5908(7) 0.2147(6) 0.6246(4) 0.050(2) Uani 1 1 d . . .
H10 H 0.6365 0.2546 0.6440 0.060 Uiso 1 1 calc R . .
C11 C 0.9787(7) 0.3847(5) 0.5318(4) 0.047(2) Uani 1 1 d . . .
H11 H 1.0276 0.4222 0.5522 0.057 Uiso 1 1 calc R . .
C12 C 0.7388(6) 0.2746(5) 0.5543(3) 0.0335(18) Uani 1 1 d . . .
H12 H 0.7318 0.3030 0.5873 0.040 Uiso 1 1 calc R . .
C13 C 0.8950(6) 0.1346(4) 0.1997(3) 0.0276(16) Uani 1 1 d . . .
C14 C 0.8230(6) 0.2998(4) 0.5259(3) 0.0345(18) Uani 1 1 d . . .
C15 C 0.5202(7) 0.1340(5) 0.5380(4) 0.041(2) Uani 1 1 d . . .
C16 C 0.4430(6) 0.0758(5) 0.3804(4) 0.039(2) Uani 1 1 d . . .
C17 C 0.4143(7) 0.0573(5) 0.2589(4) 0.045(2) Uani 1 1 d . . .
H17 H 0.4054 0.0507 0.2185 0.054 Uiso 1 1 calc R . .
C18 C 0.5167(8) 0.1777(7) 0.6514(4) 0.055(3) Uani 1 1 d . . .
H18 H 0.5147 0.1919 0.6895 0.066 Uiso 1 1 calc R . .
C19 C 0.3466(6) 0.3512(4) 0.1793(3) 0.0311(17) Uani 1 1 d . . .
H19 H 0.3068 0.3690 0.1427 0.037 Uiso 1 1 calc R . .
C20 C 0.4458(7) 0.0971(5) 0.5655(4) 0.045(2) Uani 1 1 d . . .
H20 H 0.3980 0.0583 0.5462 0.054 Uiso 1 1 calc R . .
C21 C 0.8972(7) 0.3569(5) 0.5551(4) 0.046(2) Uani 1 1 d . . .
H21 H 0.8906 0.3763 0.5913 0.055 Uiso 1 1 calc R . .
C22 C 0.8459(6) 0.1737(4) 0.1437(3) 0.0292(17) Uani 1 1 d . . .
H22 H 0.8672 0.1569 0.1104 0.035 Uiso 1 1 calc R . .
C23 C 0.9163(6) 0.3018(4) 0.4475(3) 0.0331(18) Uani 1 1 d . . .
C24 C 0.8751(6) 0.0436(4) 0.3896(3) 0.0335(18) Uani 1 1 d . . .
H24A H 0.9330 0.0097 0.3844 0.050 Uiso 1 1 calc R . .
H24B H 0.8094 0.0132 0.3852 0.050 Uiso 1 1 calc R . .
H24C H 0.8946 0.0667 0.4283 0.050 Uiso 1 1 calc R . .
C25 C 0.3583(6) 0.3240(4) 0.2808(3) 0.0325(18) Uani 1 1 d . . .
H25 H 0.3262 0.3234 0.3125 0.039 Uiso 1 1 calc R . .
C26 C 0.5770(6) 0.3417(4) 0.0254(3) 0.0309(17) Uani 1 1 d . . .
H26 H 0.5145 0.3719 0.0231 0.037 Uiso 1 1 calc R . .
C27 C 0.9887(7) 0.3568(5) 0.4772(4) 0.044(2) Uani 1 1 d . . .
H27 H 1.0443 0.3755 0.4611 0.053 Uiso 1 1 calc R . .
C28 C 0.9689(6) 0.0713(5) 0.1972(3) 0.0357(19) Uani 1 1 d . . .
H28 H 0.9903 0.0627 0.1623 0.043 Uiso 1 1 calc R . .
C29 C 0.5134(5) 0.2975(4) 0.2404(3) 0.0214(15) Uani 1 1 d . . .
C30 C 1.0086(6) 0.0239(5) 0.2437(4) 0.0361(19) Uani 1 1 d . . .
H30 H 1.0588 -0.0154 0.2412 0.043 Uiso 1 1 calc R . .
C31 C 0.4942(5) 0.3231(4) 0.1321(3) 0.0254(16) Uani 1 1 d . . .
H31 H 0.4449 0.3344 0.0965 0.030 Uiso 1 1 calc R . .
C32 C 0.6196(6) 0.3334(4) -0.0237(3) 0.0331(18) Uani 1 1 d . . .
H32 H 0.5854 0.3581 -0.0589 0.040 Uiso 1 1 calc R . .
C33 C 0.5130(6) 0.0835(4) 0.2936(4) 0.0344(18) Uani 1 1 d . . .
C34 C 0.8660(5) 0.1472(4) 0.2533(3) 0.0253(16) Uani 1 1 d . . .
C35 C 0.4454(6) 0.0893(5) 0.4406(4) 0.039(2) Uani 1 1 d . . .
H35 H 0.3816 0.0788 0.4524 0.047 Uiso 1 1 calc R . .
C36 C 0.2998(6) 0.3525(5) 0.2258(4) 0.0356(19) Uani 1 1 d . . .
H36 H 0.2295 0.3722 0.2212 0.043 Uiso 1 1 calc R . .
C37 C 0.6284(6) 0.3046(4) 0.0779(3) 0.0265(16) Uani 1 1 d . . .
C38 C 0.9028(5) 0.0925(4) 0.2992(3) 0.0257(16) Uani 1 1 d . . .
C39 C 0.5300(6) 0.0922(4) 0.3536(3) 0.0286(17) Uani 1 1 d . . .
C40 C 0.4536(5) 0.3237(4) 0.1852(3) 0.0231(15) Uani 1 1 d . . .
C41 C 0.7662(6) 0.2532(5) 0.0323(3) 0.0326(17) Uani 1 1 d . . .
H41 H 0.8298 0.2244 0.0344 0.039 Uiso 1 1 calc R . .
C42 C 0.4624(5) 0.2972(4) 0.2874(3) 0.0246(15) Uani 1 1 d . . .
C43 C 0.7258(5) 0.2607(4) 0.0814(3) 0.0211(14) Uani 1 1 d . . .
N1 N 0.5273(5) 0.1148(4) 0.4805(3) 0.0344(15) Uani 1 1 d . . .
N4 N 0.7747(5) 0.2302(3) 0.1376(3) 0.0247(13) Uani 1 1 d . . .
N3 N 0.5935(5) 0.3080(3) 0.1308(3) 0.0257(13) Uani 1 1 d . . .
N2 N 0.6732(5) 0.2164(4) 0.5376(3) 0.0350(16) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Zn1 3.5228(9) . ?
Dy1 Zn2 3.4480(9) . ?
Dy1 O4 2.715(5) . ?
Dy1 O8 2.538(4) . ?
Dy1 O3 2.582(5) . ?
Dy1 O7 2.538(5) . ?
Dy1 O2 2.278(5) . ?
Dy1 O5 2.299(4) . ?
Dy1 O9 2.399(6) . ?
Dy1 O1 2.328(5) . ?
Dy1 O6 2.312(4) . ?
Zn3 Zn3 3.000(4) 3_666 ?
Zn3 Br3 2.510(2) 3_666 ?
Zn3 Br3 2.343(2) . ?
Zn3 Br4 2.394(2) . ?
Zn3 Br5 2.376(3) . ?
Zn1 Br1 2.3958(11) . ?
Zn1 O2 2.023(5) . ?
Zn1 O1 2.056(5) . ?
Zn1 N1 2.050(6) . ?
Zn1 N2 2.068(7) . ?
Zn2 Br2 2.3774(11) . ?
Zn2 O5 2.056(4) . ?
Zn2 O6 2.018(5) . ?
Zn2 N4 2.042(6) . ?
Zn2 N3 2.062(6) . ?
Br3 Zn3 2.510(2) 3_666 ?
O4 C8 1.442(9) . ?
O4 C23 1.390(9) . ?
O8 C24 1.434(8) . ?
O8 C38 1.375(8) . ?
O3 C3 1.451(9) . ?
O3 C33 1.364(9) . ?
O7 C1 1.437(9) . ?
O7 C42 1.383(8) . ?
O2 C7 1.337(8) . ?
O5 C34 1.330(8) . ?
O9 H9A 0.87(9) . ?
O9 H9B 0.86(10) . ?
O1 C39 1.336(8) . ?
O6 C29 1.333(8) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2 0.9300 . ?
C2 C9 1.329(13) . ?
C2 C16 1.421(11) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4 0.9300 . ?
C4 C18 1.385(15) . ?
C4 C20 1.373(13) . ?
C5 H5 0.9300 . ?
C5 C32 1.381(11) . ?
C5 C41 1.391(11) . ?
C44 H44 0.9300 . ?
C44 C30 1.375(11) . ?
C44 C38 1.372(10) . ?
C6 C10 1.399(12) . ?
C6 C15 1.403(12) . ?
C6 N2 1.422(10) . ?
C7 C14 1.389(11) . ?
C7 C23 1.413(11) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9 0.9300 . ?
C9 C17 1.388(12) . ?
C10 H10 0.9300 . ?
C10 C18 1.394(13) . ?
C11 H11 0.9300 . ?
C11 C21 1.362(13) . ?
C11 C27 1.396(12) . ?
C12 H12 0.9300 . ?
C12 C14 1.448(11) . ?
C12 N2 1.283(10) . ?
C13 C22 1.463(10) . ?
C13 C28 1.429(10) . ?
C13 C34 1.407(10) . ?
C14 C21 1.400(11) . ?
C15 C20 1.408(11) . ?
C15 N1 1.408(10) . ?
C16 C35 1.422(12) . ?
C16 C39 1.419(11) . ?
C17 H17 0.9300 . ?
C17 C33 1.384(11) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C19 C36 1.360(11) . ?
C19 C40 1.405(9) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C22 N4 1.294(9) . ?
C23 C27 1.367(11) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25 0.9300 . ?
C25 C36 1.404(10) . ?
C25 C42 1.363(10) . ?
C26 H26 0.9300 . ?
C26 C32 1.389(10) . ?
C26 C37 1.392(10) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C28 C30 1.346(10) . ?
C29 C40 1.400(9) . ?
C29 C42 1.404(10) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C31 C40 1.456(10) . ?
C31 N3 1.288(8) . ?
C32 H32 0.9300 . ?
C33 C39 1.375(11) . ?
C34 C38 1.406(10) . ?
C35 H35 0.9300 . ?
C35 N1 1.286(10) . ?
C36 H36 0.9300 . ?
C37 C43 1.421(10) . ?
C37 N3 1.413(9) . ?
C41 H41 0.9300 . ?
C41 C43 1.372(10) . ?
C43 N4 1.406(9) . ?

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
Zn2 Dy1 Zn1 175.24(2) . . ?
O4 Dy1 Zn1 90.31(11) . . ?
O4 Dy1 Zn2 94.20(11) . . ?
O8 Dy1 Zn1 84.27(10) . . ?
O8 Dy1 Zn2 98.76(10) . . ?
O8 Dy1 O4 69.41(15) . . ?
O8 Dy1 O3 79.86(15) . . ?
O3 Dy1 Zn1 95.54(11) . . ?
O3 Dy1 Zn2 81.44(11) . . ?
O3 Dy1 O4 147.97(15) . . ?
O7 Dy1 Zn1 79.27(11) . . ?
O7 Dy1 Zn2 96.62(11) . . ?
O7 Dy1 O4 129.84(16) . . ?
O7 Dy1 O8 154.25(15) . . ?
O7 Dy1 O3 82.17(16) . . ?
O2 Dy1 Zn1 32.69(12) . . ?
O2 Dy1 Zn2 150.61(12) . . ?
O2 Dy1 O4 60.88(16) . . ?
O2 Dy1 O8 87.24(16) . . ?
O2 Dy1 O3 127.94(16) . . ?
O2 Dy1 O7 89.43(16) . . ?
O2 Dy1 O5 137.96(17) . . ?
O2 Dy1 O9 80.25(19) . . ?
O2 Dy1 O1 66.65(17) . . ?
O2 Dy1 O6 146.61(16) . . ?
O5 Dy1 Zn1 147.82(11) . . ?
O5 Dy1 Zn2 35.25(11) . . ?
O5 Dy1 O4 80.01(16) . . ?
O5 Dy1 O8 63.58(15) . . ?
O5 Dy1 O3 78.38(16) . . ?
O5 Dy1 O7 129.97(15) . . ?
O5 Dy1 O9 98.70(19) . . ?
O5 Dy1 O1 132.42(17) . . ?
O5 Dy1 O6 66.74(15) . . ?
O9 Dy1 Zn1 105.40(15) . . ?
O9 Dy1 Zn2 75.11(15) . . ?
O9 Dy1 O4 66.41(17) . . ?
O9 Dy1 O8 134.66(17) . . ?
O9 Dy1 O3 140.33(17) . . ?
O9 Dy1 O7 69.51(18) . . ?
O1 Dy1 Zn1 33.96(12) . . ?
O1 Dy1 Zn2 142.41(12) . . ?
O1 Dy1 O4 121.04(16) . . ?
O1 Dy1 O8 83.54(16) . . ?
O1 Dy1 O3 61.91(16) . . ?
O1 Dy1 O7 71.73(16) . . ?
O1 Dy1 O9 128.45(19) . . ?
O6 Dy1 Zn1 141.04(11) . . ?
O6 Dy1 Zn2 34.36(11) . . ?
O6 Dy1 O4 121.40(16) . . ?
O6 Dy1 O8 125.75(15) . . ?
O6 Dy1 O3 70.08(15) . . ?
O6 Dy1 O7 63.33(15) . . ?
O6 Dy1 O9 72.52(18) . . ?
O6 Dy1 O1 117.02(16) . . ?
Br3 Zn3 Zn3 54.38(6) . 3_666 ?
Br3 Zn3 Zn3 49.34(6) 3_666 3_666 ?
Br3 Zn3 Br3 103.72(7) . 3_666 ?
Br3 Zn3 Br4 103.60(8) . . ?
Br3 Zn3 Br5 116.14(10) . . ?
Br4 Zn3 Zn3 120.51(11) . 3_666 ?
Br4 Zn3 Br3 112.78(8) . 3_666 ?
Br5 Zn3 Zn3 128.99(12) . 3_666 ?
Br5 Zn3 Br3 109.92(11) . 3_666 ?
Br5 Zn3 Br4 110.48(11) . . ?
Br1 Zn1 Dy1 123.79(3) . . ?
O2 Zn1 Dy1 37.47(13) . . ?
O2 Zn1 Br1 114.09(14) . . ?
O2 Zn1 O1 76.71(19) . . ?
O2 Zn1 N1 137.8(2) . . ?
O2 Zn1 N2 87.3(2) . . ?
O1 Zn1 Dy1 39.25(13) . . ?
O1 Zn1 Br1 118.19(14) . . ?
O1 Zn1 N2 140.2(2) . . ?
N1 Zn1 Dy1 117.83(17) . . ?
N1 Zn1 Br1 107.75(17) . . ?
N1 Zn1 O1 88.3(2) . . ?
N1 Zn1 N2 79.4(3) . . ?
N2 Zn1 Dy1 116.93(18) . . ?
N2 Zn1 Br1 101.65(17) . . ?
Br2 Zn2 Dy1 97.24(3) . . ?
O5 Zn2 Dy1 40.20(12) . . ?
O5 Zn2 Br2 107.13(14) . . ?
O5 Zn2 N3 144.2(2) . . ?
O6 Zn2 Dy1 40.29(12) . . ?
O6 Zn2 Br2 103.90(13) . . ?
O6 Zn2 O5 77.00(17) . . ?
O6 Zn2 N4 136.7(2) . . ?
O6 Zn2 N3 88.5(2) . . ?
N4 Zn2 Dy1 126.38(16) . . ?
N4 Zn2 Br2 119.36(16) . . ?
N4 Zn2 O5 89.4(2) . . ?
N4 Zn2 N3 79.0(2) . . ?
N3 Zn2 Dy1 127.56(17) . . ?
N3 Zn2 Br2 108.09(16) . . ?
Zn3 Br3 Zn3 76.28(7) . 3_666 ?
C8 O4 Dy1 123.7(4) . . ?
C23 O4 Dy1 111.4(4) . . ?
C23 O4 C8 116.8(6) . . ?
C24 O8 Dy1 123.9(4) . . ?
C38 O8 Dy1 118.7(4) . . ?
C38 O8 C24 115.4(5) . . ?
C3 O3 Dy1 124.7(4) . . ?
C33 O3 Dy1 111.6(4) . . ?
C33 O3 C3 116.6(6) . . ?
C1 O7 Dy1 123.0(4) . . ?
C42 O7 Dy1 118.8(4) . . ?
C42 O7 C1 115.4(5) . . ?
Zn1 O2 Dy1 109.8(2) . . ?
C7 O2 Dy1 126.9(4) . . ?
C7 O2 Zn1 123.3(4) . . ?
Zn2 O5 Dy1 104.55(18) . . ?
C34 O5 Dy1 126.4(4) . . ?
C34 O5 Zn2 127.5(4) . . ?
Dy1 O9 H9A 137(5) . . ?
Dy1 O9 H9B 122(6) . . ?
H9A O9 H9B 100(8) . . ?
Zn1 O1 Dy1 106.8(2) . . ?
C39 O1 Dy1 118.7(4) . . ?
C39 O1 Zn1 128.1(4) . . ?
Zn2 O6 Dy1 105.34(19) . . ?
C29 O6 Dy1 127.6(4) . . ?
C29 O6 Zn2 125.9(4) . . ?
O7 C1 H1A 109.5 . . ?
O7 C1 H1B 109.5 . . ?
O7 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C9 C2 H2 118.3 . . ?
C9 C2 C16 123.4(8) . . ?
C16 C2 H2 118.3 . . ?
O3 C3 H3A 109.5 . . ?
O3 C3 H3B 109.5 . . ?
O3 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C18 C4 H4 119.1 . . ?
C20 C4 H4 119.1 . . ?
C20 C4 C18 121.8(9) . . ?
C32 C5 H5 119.7 . . ?
C32 C5 C41 120.6(7) . . ?
C41 C5 H5 119.7 . . ?
C30 C44 H44 120.1 . . ?
C38 C44 H44 120.1 . . ?
C38 C44 C30 119.9(7) . . ?
C10 C6 C15 119.8(8) . . ?
C10 C6 N2 125.1(9) . . ?
C15 C6 N2 115.0(7) . . ?
O2 C7 C14 124.4(7) . . ?
O2 C7 C23 116.8(7) . . ?
C14 C7 C23 118.8(7) . . ?
O4 C8 H8A 109.5 . . ?
O4 C8 H8B 109.5 . . ?
O4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C2 C9 H9 120.3 . . ?
C2 C9 C17 119.5(8) . . ?
C17 C9 H9 120.3 . . ?
C6 C10 H10 120.7 . . ?
C18 C10 C6 118.6(10) . . ?
C18 C10 H10 120.7 . . ?
C21 C11 H11 120.1 . . ?
C21 C11 C27 119.7(8) . . ?
C27 C11 H11 120.1 . . ?
C14 C12 H12 117.4 . . ?
N2 C12 H12 117.4 . . ?
N2 C12 C14 125.3(7) . . ?
C28 C13 C22 116.0(6) . . ?
C34 C13 C22 125.8(6) . . ?
C34 C13 C28 117.7(6) . . ?
C7 C14 C12 123.7(7) . . ?
C7 C14 C21 119.1(8) . . ?
C21 C14 C12 117.2(8) . . ?
C6 C15 C20 120.8(8) . . ?
C6 C15 N1 116.3(7) . . ?
N1 C15 C20 122.8(9) . . ?
C2 C16 C35 118.1(8) . . ?
C39 C16 C2 116.7(8) . . ?
C39 C16 C35 125.1(7) . . ?
C9 C17 H17 120.3 . . ?
C33 C17 C9 119.5(9) . . ?
C33 C17 H17 120.3 . . ?
C4 C18 C10 120.8(9) . . ?
C4 C18 H18 119.6 . . ?
C10 C18 H18 119.6 . . ?
C36 C19 H19 119.2 . . ?
C36 C19 C40 121.5(7) . . ?
C40 C19 H19 119.2 . . ?
C4 C20 C15 118.0(10) . . ?
C4 C20 H20 121.0 . . ?
C15 C20 H20 121.0 . . ?
C11 C21 C14 121.6(8) . . ?
C11 C21 H21 119.2 . . ?
C14 C21 H21 119.2 . . ?
C13 C22 H22 117.9 . . ?
N4 C22 C13 124.3(7) . . ?
N4 C22 H22 117.9 . . ?
O4 C23 C7 112.9(6) . . ?
C27 C23 O4 126.1(8) . . ?
C27 C23 C7 121.1(8) . . ?
O8 C24 H24A 109.5 . . ?
O8 C24 H24B 109.5 . . ?
O8 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C36 C25 H25 120.1 . . ?
C42 C25 H25 120.1 . . ?
C42 C25 C36 119.7(7) . . ?
C32 C26 H26 120.2 . . ?
C32 C26 C37 119.6(7) . . ?
C37 C26 H26 120.2 . . ?
C11 C27 H27 120.1 . . ?
C23 C27 C11 119.7(8) . . ?
C23 C27 H27 120.1 . . ?
C13 C28 H28 119.1 . . ?
C30 C28 C13 121.8(7) . . ?
C30 C28 H28 119.1 . . ?
O6 C29 C40 124.7(6) . . ?
O6 C29 C42 116.8(6) . . ?
C40 C29 C42 118.5(6) . . ?
C44 C30 H30 119.8 . . ?
C28 C30 C44 120.4(7) . . ?
C28 C30 H30 119.8 . . ?
C40 C31 H31 117.6 . . ?
N3 C31 H31 117.6 . . ?
N3 C31 C40 124.7(6) . . ?
C5 C32 C26 120.3(7) . . ?
C5 C32 H32 119.8 . . ?
C26 C32 H32 119.8 . . ?
O3 C33 C17 124.7(8) . . ?
O3 C33 C39 113.4(7) . . ?
C39 C33 C17 121.9(8) . . ?
O5 C34 C13 123.8(6) . . ?
O5 C34 C38 117.8(6) . . ?
C38 C34 C13 118.2(6) . . ?
C16 C35 H35 116.9 . . ?
N1 C35 C16 126.3(7) . . ?
N1 C35 H35 116.9 . . ?
C19 C36 C25 119.6(7) . . ?
C19 C36 H36 120.2 . . ?
C25 C36 H36 120.2 . . ?
C26 C37 C43 119.8(7) . . ?
C26 C37 N3 125.3(7) . . ?
N3 C37 C43 114.9(6) . . ?
O8 C38 C34 112.5(6) . . ?
C44 C38 O8 125.9(6) . . ?
C44 C38 C34 121.6(7) . . ?
O1 C39 C16 123.4(7) . . ?
O1 C39 C33 117.5(7) . . ?
C33 C39 C16 119.0(7) . . ?
C19 C40 C31 116.7(6) . . ?
C29 C40 C19 119.0(6) . . ?
C29 C40 C31 124.3(6) . . ?
C5 C41 H41 119.9 . . ?
C43 C41 C5 120.2(7) . . ?
C43 C41 H41 119.9 . . ?
O7 C42 C29 113.3(6) . . ?
C25 C42 O7 125.1(7) . . ?
C25 C42 C29 121.6(7) . . ?
C41 C43 C37 119.6(6) . . ?
C41 C43 N4 125.5(6) . . ?
N4 C43 C37 114.9(6) . . ?
C15 N1 Zn1 109.5(5) . . ?
C35 N1 Zn1 127.7(6) . . ?
C35 N1 C15 122.8(7) . . ?
C22 N4 Zn2 127.7(5) . . ?
C22 N4 C43 120.5(6) . . ?
C43 N4 Zn2 111.7(4) . . ?
C31 N3 Zn2 126.8(5) . . ?
C31 N3 C37 122.8(6) . . ?
C37 N3 Zn2 110.4(4) . . ?
C6 N2 Zn1 109.8(5) . . ?
C12 N2 Zn1 125.3(5) . . ?
C12 N2 C6 124.1(7) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O9 H9A Br4 0.87(9) 2.35(9) 3.215(6) 171(7) .
O9 H9B Br2 0.86(10) 2.47(10) 3.259(6) 153(8) .

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 Zn1 O2 C7 178.7(6) . . . . ?
Dy1 Zn1 O1 C39 -151.0(6) . . . . ?
Dy1 Zn1 N1 C15 -142.4(4) . . . . ?
Dy1 Zn1 N1 C35 36.6(7) . . . . ?
Dy1 Zn1 N2 C6 141.2(4) . . . . ?
Dy1 Zn1 N2 C12 -48.6(6) . . . . ?
Dy1 Zn2 O5 C34 166.1(6) . . . . ?
Dy1 Zn2 O6 C29 168.1(6) . . . . ?
Dy1 Zn2 N4 C22 -28.5(7) . . . . ?
Dy1 Zn2 N4 C43 153.9(4) . . . . ?
Dy1 Zn2 N3 C31 27.8(7) . . . . ?
Dy1 Zn2 N3 C37 -153.8(4) . . . . ?
Dy1 O4 C23 C7 23.3(7) . . . . ?
Dy1 O4 C23 C27 -156.8(6) . . . . ?
Dy1 O8 C38 C44 -175.4(6) . . . . ?
Dy1 O8 C38 C34 3.9(7) . . . . ?
Dy1 O3 C33 C17 149.4(7) . . . . ?
Dy1 O3 C33 C39 -28.3(7) . . . . ?
Dy1 O7 C42 C25 176.5(6) . . . . ?
Dy1 O7 C42 C29 -2.7(7) . . . . ?
Dy1 O2 C7 C14 148.5(6) . . . . ?
Dy1 O2 C7 C23 -29.4(9) . . . . ?
Dy1 O5 C34 C13 164.1(5) . . . . ?
Dy1 O5 C34 C38 -11.7(9) . . . . ?
Dy1 O1 C39 C16 -141.8(6) . . . . ?
Dy1 O1 C39 C33 34.8(8) . . . . ?
Dy1 O6 C29 C40 -173.6(5) . . . . ?
Dy1 O6 C29 C42 3.4(8) . . . . ?
Zn1 Dy1 Zn2 Br2 119.1(3) . . . . ?
Zn1 Dy1 Zn2 O5 -132.8(3) . . . . ?
Zn1 Dy1 Zn2 O6 16.1(3) . . . . ?
Zn1 Dy1 Zn2 N4 -105.9(3) . . . . ?
Zn1 Dy1 Zn2 N3 -0.4(4) . . . . ?
Zn1 Dy1 O4 C8 171.2(6) . . . . ?
Zn1 Dy1 O4 C23 -41.2(4) . . . . ?
Zn1 Dy1 O8 C24 8.6(5) . . . . ?
Zn1 Dy1 O8 C38 172.0(4) . . . . ?
Zn1 Dy1 O3 C3 -173.5(5) . . . . ?
Zn1 Dy1 O3 C33 37.3(4) . . . . ?
Zn1 Dy1 O7 C1 34.2(6) . . . . ?
Zn1 Dy1 O7 C42 -165.7(5) . . . . ?
Zn1 Dy1 O2 C7 -178.7(7) . . . . ?
Zn1 Dy1 O5 Zn2 173.44(5) . . . . ?
Zn1 Dy1 O5 C34 7.2(6) . . . . ?
Zn1 Dy1 O1 C39 154.3(6) . . . . ?
Zn1 Dy1 O6 Zn2 -177.90(4) . . . . ?
Zn1 Dy1 O6 C29 14.2(6) . . . . ?
Zn1 O2 C7 C14 -30.0(9) . . . . ?
Zn1 O2 C7 C23 152.1(5) . . . . ?
Zn1 O1 C39 C16 6.3(10) . . . . ?
Zn1 O1 C39 C33 -177.1(5) . . . . ?
Zn2 Dy1 Zn1 Br1 137.2(2) . . . . ?
Zn2 Dy1 Zn1 O2 -136.6(3) . . . . ?
Zn2 Dy1 Zn1 O1 42.7(3) . . . . ?
Zn2 Dy1 Zn1 N1 -3.0(4) . . . . ?
Zn2 Dy1 Zn1 N2 -95.0(3) . . . . ?
Zn2 Dy1 O4 C8 -10.3(6) . . . . ?
Zn2 Dy1 O4 C23 137.3(4) . . . . ?
Zn2 Dy1 O8 C24 -167.7(5) . . . . ?
Zn2 Dy1 O8 C38 -4.3(4) . . . . ?
Zn2 Dy1 O3 C3 10.2(5) . . . . ?
Zn2 Dy1 O3 C33 -139.0(4) . . . . ?
Zn2 Dy1 O7 C1 -148.2(6) . . . . ?
Zn2 Dy1 O7 C42 11.8(5) . . . . ?
Zn2 Dy1 O2 Zn1 173.32(5) . . . . ?
Zn2 Dy1 O2 C7 -5.4(7) . . . . ?
Zn2 Dy1 O5 C34 -166.3(6) . . . . ?
Zn2 Dy1 O1 Zn1 -174.71(4) . . . . ?
Zn2 Dy1 O1 C39 -20.5(6) . . . . ?
Zn2 Dy1 O6 C29 -167.9(6) . . . . ?
Zn2 O5 C34 C13 0.9(10) . . . . ?
Zn2 O5 C34 C38 -174.9(5) . . . . ?
Zn2 O6 C29 C40 20.9(9) . . . . ?
Zn2 O6 C29 C42 -162.1(5) . . . . ?
Br1 Zn1 O2 Dy1 114.72(16) . . . . ?
Br1 Zn1 O2 C7 -66.5(5) . . . . ?
Br1 Zn1 O1 Dy1 -109.96(16) . . . . ?
Br1 Zn1 O1 C39 99.0(5) . . . . ?
Br1 Zn1 N1 C15 71.6(5) . . . . ?
Br1 Zn1 N1 C35 -109.4(6) . . . . ?
Br1 Zn1 N2 C6 -80.9(5) . . . . ?
Br1 Zn1 N2 C12 89.3(6) . . . . ?
Br2 Zn2 O5 Dy1 80.76(17) . . . . ?
Br2 Zn2 O5 C34 -113.2(5) . . . . ?
Br2 Zn2 O6 Dy1 -84.78(16) . . . . ?
Br2 Zn2 O6 C29 83.4(5) . . . . ?
Br2 Zn2 N4 C22 97.9(6) . . . . ?
Br2 Zn2 N4 C43 -79.6(5) . . . . ?
Br2 Zn2 N3 C31 -87.0(6) . . . . ?
Br2 Zn2 N3 C37 91.5(4) . . . . ?
Br3 Zn3 Br3 Zn3 0.0 3_666 . . 3_666 ?
Br4 Zn3 Br3 Zn3 117.98(10) . . . 3_666 ?
Br5 Zn3 Br3 Zn3 -120.70(14) . . . 3_666 ?
O4 Dy1 Zn1 Br1 -61.67(11) . . . . ?
O4 Dy1 Zn1 O2 24.6(2) . . . . ?
O4 Dy1 Zn1 O1 -156.2(2) . . . . ?
O4 Dy1 Zn1 N1 158.1(2) . . . . ?
O4 Dy1 Zn1 N2 66.1(2) . . . . ?
O4 Dy1 Zn2 Br2 -41.95(11) . . . . ?
O4 Dy1 Zn2 O5 66.1(2) . . . . ?
O4 Dy1 Zn2 O6 -144.9(2) . . . . ?
O4 Dy1 Zn2 N4 93.1(2) . . . . ?
O4 Dy1 Zn2 N3 -161.5(2) . . . . ?
O4 Dy1 O8 C24 101.1(5) . . . . ?
O4 Dy1 O8 C38 -95.5(4) . . . . ?
O4 Dy1 O3 C3 -74.0(6) . . . . ?
O4 Dy1 O3 C33 136.8(4) . . . . ?
O4 Dy1 O7 C1 -47.1(6) . . . . ?
O4 Dy1 O7 C42 113.0(5) . . . . ?
O4 Dy1 O2 Zn1 -151.6(3) . . . . ?
O4 Dy1 O2 C7 29.7(5) . . . . ?
O4 Dy1 O5 Zn2 -112.2(2) . . . . ?
O4 Dy1 O5 C34 81.5(5) . . . . ?
O4 Dy1 O1 Zn1 28.1(3) . . . . ?
O4 Dy1 O1 C39 -177.7(4) . . . . ?
O4 Dy1 O6 Zn2 42.2(3) . . . . ?
O4 Dy1 O6 C29 -125.7(5) . . . . ?
O4 C23 C27 C11 179.5(7) . . . . ?
O8 Dy1 Zn1 Br1 7.60(11) . . . . ?
O8 Dy1 Zn1 O2 93.8(2) . . . . ?
O8 Dy1 Zn1 O1 -86.9(2) . . . . ?
O8 Dy1 Zn1 N1 -132.6(2) . . . . ?
O8 Dy1 Zn1 N2 135.4(2) . . . . ?
O8 Dy1 Zn2 Br2 -111.74(11) . . . . ?
O8 Dy1 Zn2 O5 -3.7(2) . . . . ?
O8 Dy1 Zn2 O6 145.3(2) . . . . ?
O8 Dy1 Zn2 N4 23.3(2) . . . . ?
O8 Dy1 Zn2 N3 128.8(2) . . . . ?
O8 Dy1 O4 C8 87.4(6) . . . . ?
O8 Dy1 O4 C23 -124.9(5) . . . . ?
O8 Dy1 O3 C3 -90.4(5) . . . . ?
O8 Dy1 O3 C33 120.4(5) . . . . ?
O8 Dy1 O7 C1 85.4(7) . . . . ?
O8 Dy1 O7 C42 -114.6(5) . . . . ?
O8 Dy1 O2 Zn1 -83.7(2) . . . . ?
O8 Dy1 O2 C7 97.6(5) . . . . ?
O8 Dy1 O5 Zn2 175.9(3) . . . . ?
O8 Dy1 O5 C34 9.6(5) . . . . ?
O8 Dy1 O1 Zn1 89.3(2) . . . . ?
O8 Dy1 O1 C39 -116.4(5) . . . . ?
O8 Dy1 O6 Zn2 -43.9(3) . . . . ?
O8 Dy1 O6 C29 148.2(5) . . . . ?
O3 Dy1 Zn1 Br1 86.79(12) . . . . ?
O3 Dy1 Zn1 O2 173.0(3) . . . . ?
O3 Dy1 Zn1 O1 -7.8(2) . . . . ?
O3 Dy1 Zn1 N1 -53.4(2) . . . . ?
O3 Dy1 Zn1 N2 -145.4(2) . . . . ?
O3 Dy1 Zn2 Br2 170.00(12) . . . . ?
O3 Dy1 Zn2 O5 -82.0(2) . . . . ?
O3 Dy1 Zn2 O6 67.0(2) . . . . ?
O3 Dy1 Zn2 N4 -55.0(2) . . . . ?
O3 Dy1 Zn2 N3 50.5(2) . . . . ?
O3 Dy1 O4 C8 70.2(7) . . . . ?
O3 Dy1 O4 C23 -142.1(4) . . . . ?
O3 Dy1 O8 C24 -88.1(5) . . . . ?
O3 Dy1 O8 C38 75.3(4) . . . . ?
O3 Dy1 O7 C1 131.4(6) . . . . ?
O3 Dy1 O7 C42 -68.5(5) . . . . ?
O3 Dy1 O2 Zn1 -8.8(3) . . . . ?
O3 Dy1 O2 C7 172.5(5) . . . . ?
O3 Dy1 O5 Zn2 91.6(2) . . . . ?
O3 Dy1 O5 C34 -74.7(5) . . . . ?
O3 Dy1 O1 Zn1 171.2(3) . . . . ?
O3 Dy1 O1 C39 -34.5(5) . . . . ?
O3 Dy1 O6 Zn2 -104.5(2) . . . . ?
O3 Dy1 O6 C29 87.7(5) . . . . ?
O3 C33 C39 O1 -0.5(10) . . . . ?
O3 C33 C39 C16 176.2(6) . . . . ?
O7 Dy1 Zn1 Br1 167.72(13) . . . . ?
O7 Dy1 Zn1 O2 -106.1(3) . . . . ?
O7 Dy1 Zn1 O1 73.2(2) . . . . ?
O7 Dy1 Zn1 N1 27.5(3) . . . . ?
O7 Dy1 Zn1 N2 -64.5(2) . . . . ?
O7 Dy1 Zn2 Br2 88.99(12) . . . . ?
O7 Dy1 Zn2 O5 -163.0(2) . . . . ?
O7 Dy1 Zn2 O6 -14.0(2) . . . . ?
O7 Dy1 Zn2 N4 -136.0(2) . . . . ?
O7 Dy1 Zn2 N3 -30.5(2) . . . . ?
O7 Dy1 O4 C8 -112.6(6) . . . . ?
O7 Dy1 O4 C23 35.1(5) . . . . ?
O7 Dy1 O8 C24 -41.7(7) . . . . ?
O7 Dy1 O8 C38 121.7(5) . . . . ?
O7 Dy1 O3 C3 108.2(5) . . . . ?
O7 Dy1 O3 C33 -41.1(4) . . . . ?
O7 Dy1 O2 Zn1 70.8(2) . . . . ?
O7 Dy1 O2 C7 -107.9(5) . . . . ?
O7 Dy1 O5 Zn2 22.3(3) . . . . ?
O7 Dy1 O5 C34 -144.0(5) . . . . ?
O7 Dy1 O1 Zn1 -98.0(2) . . . . ?
O7 Dy1 O1 C39 56.3(5) . . . . ?
O7 Dy1 O6 Zn2 164.4(3) . . . . ?
O7 Dy1 O6 C29 -3.5(5) . . . . ?
O2 Dy1 Zn1 Br1 -86.2(2) . . . . ?
O2 Dy1 Zn1 O1 179.2(3) . . . . ?
O2 Dy1 Zn1 N1 133.6(3) . . . . ?
O2 Dy1 Zn1 N2 41.5(3) . . . . ?
O2 Dy1 Zn2 Br2 -11.7(3) . . . . ?
O2 Dy1 Zn2 O5 96.3(3) . . . . ?
O2 Dy1 Zn2 O6 -114.7(3) . . . . ?
O2 Dy1 Zn2 N4 123.3(3) . . . . ?
O2 Dy1 Zn2 N3 -131.2(3) . . . . ?
O2 Dy1 O4 C8 -173.9(6) . . . . ?
O2 Dy1 O4 C23 -26.3(4) . . . . ?
O2 Dy1 O8 C24 41.2(5) . . . . ?
O2 Dy1 O8 C38 -155.4(4) . . . . ?
O2 Dy1 O3 C3 -168.7(5) . . . . ?
O2 Dy1 O3 C33 42.0(5) . . . . ?
O2 Dy1 O7 C1 3.0(6) . . . . ?
O2 Dy1 O7 C42 163.0(5) . . . . ?
O2 Dy1 O5 Zn2 -133.2(2) . . . . ?
O2 Dy1 O5 C34 60.5(6) . . . . ?
O2 Dy1 O1 Zn1 -0.46(18) . . . . ?
O2 Dy1 O1 C39 153.8(5) . . . . ?
O2 Dy1 O6 Zn2 125.9(3) . . . . ?
O2 Dy1 O6 C29 -42.0(6) . . . . ?
O2 Zn1 O1 Dy1 0.49(19) . . . . ?
O2 Zn1 O1 C39 -150.5(6) . . . . ?
O2 Zn1 N1 C15 -101.3(5) . . . . ?
O2 Zn1 N1 C35 77.6(8) . . . . ?
O2 Zn1 N2 C6 165.0(5) . . . . ?
O2 Zn1 N2 C12 -24.8(6) . . . . ?
O2 C7 C14 C12 1.1(11) . . . . ?
O2 C7 C14 C21 -177.1(7) . . . . ?
O2 C7 C23 O4 -1.9(9) . . . . ?
O2 C7 C23 C27 178.1(7) . . . . ?
O5 Dy1 Zn1 Br1 9.8(2) . . . . ?
O5 Dy1 Zn1 O2 96.1(3) . . . . ?
O5 Dy1 Zn1 O1 -84.7(3) . . . . ?
O5 Dy1 Zn1 N1 -130.4(3) . . . . ?
O5 Dy1 Zn1 N2 137.6(3) . . . . ?
O5 Dy1 Zn2 Br2 -108.0(2) . . . . ?
O5 Dy1 Zn2 O6 149.0(3) . . . . ?
O5 Dy1 Zn2 N4 27.0(3) . . . . ?
O5 Dy1 Zn2 N3 132.4(3) . . . . ?
O5 Dy1 O4 C8 22.1(6) . . . . ?
O5 Dy1 O4 C23 169.7(4) . . . . ?
O5 Dy1 O8 C24 -170.1(5) . . . . ?
O5 Dy1 O8 C38 -6.7(4) . . . . ?
O5 Dy1 O3 C3 -25.5(5) . . . . ?
O5 Dy1 O3 C33 -174.7(5) . . . . ?
O5 Dy1 O7 C1 -160.9(6) . . . . ?
O5 Dy1 O7 C42 -0.9(5) . . . . ?
O5 Dy1 O2 Zn1 -127.7(2) . . . . ?
O5 Dy1 O2 C7 53.6(6) . . . . ?
O5 Dy1 O1 Zn1 134.1(2) . . . . ?
O5 Dy1 O1 C39 -71.7(5) . . . . ?
O5 Dy1 O6 Zn2 -18.89(18) . . . . ?
O5 Dy1 O6 C29 173.2(5) . . . . ?
O5 Zn2 O6 Dy1 19.96(18) . . . . ?
O5 Zn2 O6 C29 -171.9(5) . . . . ?
O5 Zn2 N4 C22 -11.5(6) . . . . ?
O5 Zn2 N4 C43 170.9(5) . . . . ?
O5 Zn2 N3 C31 82.3(7) . . . . ?
O5 Zn2 N3 C37 -99.3(5) . . . . ?
O5 C34 C38 O8 4.0(9) . . . . ?
O5 C34 C38 C44 -176.7(6) . . . . ?
O9 Dy1 Zn1 Br1 -127.24(14) . . . . ?
O9 Dy1 Zn1 O2 -41.0(3) . . . . ?
O9 Dy1 Zn1 O1 138.2(2) . . . . ?
O9 Dy1 Zn1 N1 92.6(3) . . . . ?
O9 Dy1 Zn1 N2 0.5(2) . . . . ?
O9 Dy1 Zn2 Br2 22.29(14) . . . . ?
O9 Dy1 Zn2 O5 130.3(2) . . . . ?
O9 Dy1 Zn2 O6 -80.7(2) . . . . ?
O9 Dy1 Zn2 N4 157.3(2) . . . . ?
O9 Dy1 Zn2 N3 -97.2(2) . . . . ?
O9 Dy1 O4 C8 -82.1(6) . . . . ?
O9 Dy1 O4 C23 65.5(4) . . . . ?
O9 Dy1 O8 C24 114.6(5) . . . . ?
O9 Dy1 O8 C38 -82.0(5) . . . . ?
O9 Dy1 O3 C3 64.2(6) . . . . ?
O9 Dy1 O3 C33 -85.1(5) . . . . ?
O9 Dy1 O7 C1 -76.8(6) . . . . ?
O9 Dy1 O7 C42 83.2(5) . . . . ?
O9 Dy1 O2 Zn1 140.1(2) . . . . ?
O9 Dy1 O2 C7 -38.6(5) . . . . ?
O9 Dy1 O5 Zn2 -48.2(2) . . . . ?
O9 Dy1 O5 C34 145.5(5) . . . . ?
O9 Dy1 O1 Zn1 -55.1(3) . . . . ?
O9 Dy1 O1 C39 99.1(5) . . . . ?
O9 Dy1 O6 Zn2 89.0(2) . . . . ?
O9 Dy1 O6 C29 -78.8(5) . . . . ?
O1 Dy1 Zn1 Br1 94.6(2) . . . . ?
O1 Dy1 Zn1 O2 -179.2(3) . . . . ?
O1 Dy1 Zn1 N1 -45.6(3) . . . . ?
O1 Dy1 Zn1 N2 -137.7(3) . . . . ?
O1 Dy1 Zn2 Br2 157.48(19) . . . . ?
O1 Dy1 Zn2 O5 -94.5(3) . . . . ?
O1 Dy1 Zn2 O6 54.5(3) . . . . ?
O1 Dy1 Zn2 N4 -67.5(3) . . . . ?
O1 Dy1 Zn2 N3 38.0(3) . . . . ?
O1 Dy1 O4 C8 156.0(6) . . . . ?
O1 Dy1 O4 C23 -56.4(5) . . . . ?
O1 Dy1 O8 C24 -25.6(5) . . . . ?
O1 Dy1 O8 C38 137.8(4) . . . . ?
O1 Dy1 O3 C3 -178.4(6) . . . . ?
O1 Dy1 O3 C33 32.4(4) . . . . ?
O1 Dy1 O7 C1 68.5(6) . . . . ?
O1 Dy1 O7 C42 -131.5(5) . . . . ?
O1 Dy1 O2 Zn1 0.47(19) . . . . ?
O1 Dy1 O2 C7 -178.2(6) . . . . ?
O1 Dy1 O5 Zn2 124.5(2) . . . . ?
O1 Dy1 O5 C34 -41.7(6) . . . . ?
O1 Dy1 O6 Zn2 -146.12(18) . . . . ?
O1 Dy1 O6 C29 46.0(5) . . . . ?
O1 Zn1 O2 Dy1 -0.5(2) . . . . ?
O1 Zn1 O2 C7 178.2(5) . . . . ?
O1 Zn1 N1 C15 -169.3(5) . . . . ?
O1 Zn1 N1 C35 9.7(7) . . . . ?
O1 Zn1 N2 C6 99.5(5) . . . . ?
O1 Zn1 N2 C12 -90.3(7) . . . . ?
O6 Dy1 Zn1 Br1 151.67(18) . . . . ?
O6 Dy1 Zn1 O2 -122.1(3) . . . . ?
O6 Dy1 Zn1 O1 57.1(3) . . . . ?
O6 Dy1 Zn1 N1 11.5(3) . . . . ?
O6 Dy1 Zn1 N2 -80.6(3) . . . . ?
O6 Dy1 Zn2 Br2 103.0(2) . . . . ?
O6 Dy1 Zn2 O5 -149.0(3) . . . . ?
O6 Dy1 Zn2 N4 -122.0(3) . . . . ?
O6 Dy1 Zn2 N3 -16.5(3) . . . . ?
O6 Dy1 O4 C8 -32.7(6) . . . . ?
O6 Dy1 O4 C23 115.0(4) . . . . ?
O6 Dy1 O8 C24 -144.4(5) . . . . ?
O6 Dy1 O8 C38 19.0(5) . . . . ?
O6 Dy1 O3 C3 43.8(5) . . . . ?
O6 Dy1 O3 C33 -105.5(5) . . . . ?
O6 Dy1 O7 C1 -157.0(6) . . . . ?
O6 Dy1 O7 C42 3.1(4) . . . . ?
O6 Dy1 O2 Zn1 104.6(3) . . . . ?
O6 Dy1 O2 C7 -74.1(6) . . . . ?
O6 Dy1 O5 Zn2 18.46(17) . . . . ?
O6 Dy1 O5 C34 -147.8(5) . . . . ?
O6 Dy1 O1 Zn1 -143.65(18) . . . . ?
O6 Dy1 O1 C39 10.6(5) . . . . ?
O6 Zn2 O5 Dy1 -20.00(19) . . . . ?
O6 Zn2 O5 C34 146.1(5) . . . . ?
O6 Zn2 N4 C22 -81.7(7) . . . . ?
O6 Zn2 N4 C43 100.7(5) . . . . ?
O6 Zn2 N3 C31 17.2(6) . . . . ?
O6 Zn2 N3 C37 -164.4(5) . . . . ?
O6 C29 C40 C19 179.2(6) . . . . ?
O6 C29 C40 C31 0.5(11) . . . . ?
O6 C29 C42 O7 -0.1(9) . . . . ?
O6 C29 C42 C25 -179.4(6) . . . . ?
C1 O7 C42 C25 -21.9(10) . . . . ?
C1 O7 C42 C29 158.8(7) . . . . ?
C2 C9 C17 C33 -2.0(14) . . . . ?
C2 C16 C35 N1 -179.3(8) . . . . ?
C2 C16 C39 O1 178.7(7) . . . . ?
C2 C16 C39 C33 2.2(11) . . . . ?
C3 O3 C33 C17 -2.5(11) . . . . ?
C3 O3 C33 C39 179.8(6) . . . . ?
C5 C41 C43 C37 0.2(11) . . . . ?
C5 C41 C43 N4 -177.5(7) . . . . ?
C6 C10 C18 C4 -2.1(13) . . . . ?
C6 C15 C20 C4 2.3(12) . . . . ?
C6 C15 N1 Zn1 25.6(8) . . . . ?
C6 C15 N1 C35 -153.4(7) . . . . ?
C7 C14 C21 C11 -1.2(12) . . . . ?
C7 C23 C27 C11 -0.6(12) . . . . ?
C8 O4 C23 C7 173.4(6) . . . . ?
C8 O4 C23 C27 -6.7(11) . . . . ?
C9 C2 C16 C35 173.3(9) . . . . ?
C9 C2 C16 C39 -2.9(14) . . . . ?
C9 C17 C33 O3 -176.1(8) . . . . ?
C9 C17 C33 C39 1.5(13) . . . . ?
C10 C6 C15 C20 -4.5(11) . . . . ?
C10 C6 C15 N1 178.0(7) . . . . ?
C10 C6 N2 Zn1 158.6(6) . . . . ?
C10 C6 N2 C12 -11.7(12) . . . . ?
C12 C14 C21 C11 -179.5(8) . . . . ?
C13 C22 N4 Zn2 7.2(11) . . . . ?
C13 C22 N4 C43 -175.4(7) . . . . ?
C13 C28 C30 C44 2.6(13) . . . . ?
C13 C34 C38 O8 -172.1(6) . . . . ?
C13 C34 C38 C44 7.2(10) . . . . ?
C14 C7 C23 O4 -179.9(6) . . . . ?
C14 C7 C23 C27 0.2(11) . . . . ?
C14 C12 N2 Zn1 7.9(11) . . . . ?
C14 C12 N2 C6 176.7(7) . . . . ?
C15 C6 C10 C18 4.3(11) . . . . ?
C15 C6 N2 Zn1 -18.9(8) . . . . ?
C15 C6 N2 C12 170.8(7) . . . . ?
C16 C2 C9 C17 2.9(15) . . . . ?
C16 C35 N1 Zn1 -5.2(12) . . . . ?
C16 C35 N1 C15 173.7(7) . . . . ?
C17 C33 C39 O1 -178.3(7) . . . . ?
C17 C33 C39 C16 -1.6(12) . . . . ?
C18 C4 C20 C15 0.0(13) . . . . ?
C20 C4 C18 C10 -0.1(14) . . . . ?
C20 C15 N1 Zn1 -151.9(6) . . . . ?
C20 C15 N1 C35 29.1(11) . . . . ?
C21 C11 C27 C23 0.2(13) . . . . ?
C22 C13 C28 C30 -171.2(7) . . . . ?
C22 C13 C34 O5 -10.1(12) . . . . ?
C22 C13 C34 C38 165.7(7) . . . . ?
C23 C7 C14 C12 178.9(7) . . . . ?
C23 C7 C14 C21 0.7(11) . . . . ?
C24 O8 C38 C44 -10.6(10) . . . . ?
C24 O8 C38 C34 168.7(6) . . . . ?
C26 C37 C43 C41 -2.1(10) . . . . ?
C26 C37 C43 N4 175.9(6) . . . . ?
C26 C37 N3 Zn2 -155.1(6) . . . . ?
C26 C37 N3 C31 23.4(11) . . . . ?
C27 C11 C21 C14 0.8(13) . . . . ?
C28 C13 C22 N4 177.7(7) . . . . ?
C28 C13 C34 O5 178.2(7) . . . . ?
C28 C13 C34 C38 -5.9(10) . . . . ?
C30 C44 C38 O8 175.7(7) . . . . ?
C30 C44 C38 C34 -3.5(11) . . . . ?
C32 C5 C41 C43 1.7(12) . . . . ?
C32 C26 C37 C43 2.0(11) . . . . ?
C32 C26 C37 N3 -179.8(6) . . . . ?
C34 C13 C22 N4 5.9(12) . . . . ?
C34 C13 C28 C30 1.2(12) . . . . ?
C35 C16 C39 O1 2.8(12) . . . . ?
C35 C16 C39 C33 -173.7(7) . . . . ?
C36 C19 C40 C29 -0.4(11) . . . . ?
C36 C19 C40 C31 178.4(7) . . . . ?
C36 C25 C42 O7 -179.0(7) . . . . ?
C36 C25 C42 C29 0.2(11) . . . . ?
C37 C26 C32 C5 -0.1(11) . . . . ?
C37 C43 N4 Zn2 -19.8(7) . . . . ?
C37 C43 N4 C22 162.4(6) . . . . ?
C38 C44 C30 C28 -1.5(12) . . . . ?
C39 C16 C35 N1 -3.5(14) . . . . ?
C40 C19 C36 C25 -1.6(12) . . . . ?
C40 C29 C42 O7 177.1(6) . . . . ?
C40 C29 C42 C25 -2.1(10) . . . . ?
C40 C31 N3 Zn2 -4.6(10) . . . . ?
C40 C31 N3 C37 177.1(6) . . . . ?
C41 C5 C32 C26 -1.8(12) . . . . ?
C41 C43 N4 Zn2 158.0(6) . . . . ?
C41 C43 N4 C22 -19.8(11) . . . . ?
C42 C25 C36 C19 1.7(12) . . . . ?
C42 C29 C40 C19 2.2(10) . . . . ?
C42 C29 C40 C31 -176.5(6) . . . . ?
C43 C37 N3 Zn2 23.2(7) . . . . ?
C43 C37 N3 C31 -158.3(6) . . . . ?
N1 Zn1 O2 Dy1 -72.7(4) . . . . ?
N1 Zn1 O2 C7 106.1(6) . . . . ?
N1 Zn1 O1 Dy1 140.8(2) . . . . ?
N1 Zn1 O1 C39 -10.3(6) . . . . ?
N1 Zn1 N2 C6 25.3(5) . . . . ?
N1 Zn1 N2 C12 -164.6(6) . . . . ?
N1 C15 C20 C4 179.7(7) . . . . ?
N4 Zn2 O5 Dy1 -158.6(2) . . . . ?
N4 Zn2 O5 C34 7.5(5) . . . . ?
N4 Zn2 O6 Dy1 94.9(3) . . . . ?
N4 Zn2 O6 C29 -97.0(5) . . . . ?
N4 Zn2 N3 C31 155.5(6) . . . . ?
N4 Zn2 N3 C37 -26.0(4) . . . . ?
N3 Zn2 O5 Dy1 -88.5(4) . . . . ?
N3 Zn2 O5 C34 77.6(6) . . . . ?
N3 Zn2 O6 Dy1 167.0(2) . . . . ?
N3 Zn2 O6 C29 -24.9(5) . . . . ?
N3 Zn2 N4 C22 -157.4(6) . . . . ?
N3 Zn2 N4 C43 25.0(4) . . . . ?
N3 C31 C40 C19 172.1(7) . . . . ?
N3 C31 C40 C29 -9.1(11) . . . . ?
N3 C37 C43 C41 179.5(6) . . . . ?
N3 C37 C43 N4 -2.5(9) . . . . ?
N2 Zn1 O2 Dy1 -143.7(3) . . . . ?
N2 Zn1 O2 C7 35.0(5) . . . . ?
N2 Zn1 O1 Dy1 69.5(4) . . . . ?
N2 Zn1 O1 C39 -81.5(6) . . . . ?
N2 Zn1 N1 C15 -27.4(5) . . . . ?
N2 Zn1 N1 C35 151.6(7) . . . . ?
N2 C6 C10 C18 -173.1(7) . . . . ?
N2 C6 C15 C20 173.2(7) . . . . ?
N2 C6 C15 N1 -4.4(10) . . . . ?
N2 C12 C14 C7 10.9(12) . . . . ?
N2 C12 C14 C21 -170.9(7) . . . . ?

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 974438'
_audit_update_record             
;
2014-09-09 deposited with the CCDC.
2015-10-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H48 Cl3 Dy N4 O8 Zn2'
_chemical_formula_weight         1160.45

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        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'

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

_cell_length_a                   16.2823(6)
_cell_length_b                   23.8976(10)
_cell_length_c                   14.0704(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.843(4)
_cell_angle_gamma                90.00
_cell_volume                     5292.2(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2324
_exptl_absorpt_coefficient_mu    2.496
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.6351
_exptl_absorpt_correction_T_max  0.6908
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11638
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.00
_diffrn_reflns_theta_max         28.63
_reflns_number_total             5887
_reflns_number_gt                4950
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 -0.011 575 44 ' '
2 0.500 1.000 0.002 575 44 ' '
3 0.000 0.844 0.250 17 1 ' '
4 0.500 0.344 0.250 17 1 ' '
5 0.000 0.156 0.750 17 1 ' '
6 0.500 0.656 0.750 17 1 ' '
_platon_squeeze_details          
; The unit cell contains 4 H2O and 4 methanol moleculs,
which have been treated as a diffuse contribution to the
overall scattering without specific atom position by squeeze/platon.
;


_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0409P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5887
_refine_ls_number_parameters     283
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0366
_refine_ls_wR_factor_ref         0.0947
_refine_ls_wR_factor_gt          0.0893
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.081
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.5000 0.336999(10) 0.7500 0.03116(9) Uani 1 2 d S . .
Zn1 Zn 0.57961(3) 0.32177(2) 0.53852(3) 0.03706(12) Uani 1 1 d . . .
Cl1 Cl 0.53365(7) 0.25594(5) 0.42336(8) 0.0592(3) Uani 1 1 d . . .
O1 O 0.60335(14) 0.29928(11) 0.68334(18) 0.0368(6) Uani 1 1 d . . .
O2 O 0.48428(15) 0.35748(11) 0.58549(18) 0.0376(6) Uani 1 1 d . . .
O4 O 0.34610(16) 0.37262(12) 0.6386(2) 0.0486(7) Uani 1 1 d . . .
O3 O 0.58326(16) 0.24813(12) 0.83409(19) 0.0460(7) Uani 1 1 d . . .
N2 N 0.5893(2) 0.39418(15) 0.4650(2) 0.0476(9) Uani 1 1 d . . .
C11 C 0.7280(3) 0.2108(2) 0.8730(3) 0.0575(12) Uani 1 1 d . . .
H11 H 0.7208 0.1911 0.9273 0.069 Uiso 1 1 calc R . .
C14 C 0.5590(3) 0.2079(2) 0.8953(4) 0.0821(18) Uani 1 1 d . . .
H14A H 0.5932 0.2123 0.9614 0.123 Uiso 1 1 calc R . .
H14B H 0.5672 0.1710 0.8721 0.123 Uiso 1 1 calc R . .
H14C H 0.5003 0.2130 0.8939 0.123 Uiso 1 1 calc R . .
C22 C 0.5289(3) 0.42857(18) 0.4325(3) 0.0469(10) Uani 1 1 d . . .
H22 H 0.5381 0.4574 0.3920 0.056 Uiso 1 1 calc R . .
C18 C 0.3050(3) 0.4636(2) 0.4198(3) 0.0574(12) Uani 1 1 d . . .
H18 H 0.2621 0.4852 0.3802 0.069 Uiso 1 1 calc R . .
C15 C 0.2857(3) 0.3953(2) 0.6878(4) 0.0765(17) Uani 1 1 d . . .
H15A H 0.2956 0.3793 0.7523 0.115 Uiso 1 1 calc R . .
H15B H 0.2291 0.3866 0.6506 0.115 Uiso 1 1 calc R . .
H15C H 0.2924 0.4352 0.6931 0.115 Uiso 1 1 calc R . .
C20 C 0.4462(2) 0.42580(16) 0.4545(3) 0.0387(9) Uani 1 1 d . . .
N1 N 0.7098(2) 0.32366(15) 0.5596(3) 0.0469(9) Uani 1 1 d . . .
C19 C 0.3826(3) 0.46126(19) 0.4005(3) 0.0513(11) Uani 1 1 d . . .
H19 H 0.3936 0.4834 0.3509 0.062 Uiso 1 1 calc R . .
C7 C 0.7650(2) 0.29773(19) 0.6244(3) 0.0461(10) Uani 1 1 d . . .
H7 H 0.8205 0.2978 0.6183 0.055 Uiso 1 1 calc R . .
C12 C 0.6629(2) 0.24121(17) 0.8161(3) 0.0412(9) Uani 1 1 d . . .
C13 C 0.6707(2) 0.26991(16) 0.7316(3) 0.0362(8) Uani 1 1 d . . .
C10 C 0.8058(3) 0.2099(2) 0.8483(3) 0.0670(14) Uani 1 1 d . . .
H10 H 0.8512 0.1900 0.8873 0.080 Uiso 1 1 calc R . .
C21 C 0.4302(2) 0.39381(15) 0.5311(3) 0.0346(8) Uani 1 1 d . . .
C2 C 0.6825(3) 0.4320(2) 0.3600(4) 0.0678(14) Uani 1 1 d . . .
H2A H 0.6511 0.4103 0.3041 0.081 Uiso 1 1 calc R . .
H2B H 0.6565 0.4687 0.3564 0.081 Uiso 1 1 calc R . .
C8 C 0.7487(2) 0.26813(17) 0.7068(3) 0.0395(9) Uani 1 1 d . . .
C16 C 0.3519(2) 0.40125(16) 0.5545(3) 0.0389(9) Uani 1 1 d . . .
C17 C 0.2898(3) 0.43440(19) 0.4975(3) 0.0521(11) Uani 1 1 d . . .
H17 H 0.2371 0.4371 0.5116 0.063 Uiso 1 1 calc R . .
C5 C 0.8178(3) 0.3593(2) 0.4709(4) 0.0724(15) Uani 1 1 d . . .
H5A H 0.8484 0.3809 0.5272 0.087 Uiso 1 1 calc R . .
H5B H 0.8444 0.3228 0.4746 0.087 Uiso 1 1 calc R . .
C9 C 0.8158(3) 0.2376(2) 0.7680(3) 0.0544(11) Uani 1 1 d . . .
H9 H 0.8681 0.2365 0.7529 0.065 Uiso 1 1 calc R . .
C3 C 0.7718(4) 0.4381(3) 0.3541(5) 0.099(2) Uani 1 1 d . . .
H3A H 0.7715 0.4492 0.2877 0.119 Uiso 1 1 calc R . .
H3B H 0.7981 0.4681 0.3978 0.119 Uiso 1 1 calc R . .
C4 C 0.8246(4) 0.3877(3) 0.3795(5) 0.105(2) Uani 1 1 d . . .
H4A H 0.8834 0.3980 0.3865 0.126 Uiso 1 1 calc R . .
H4B H 0.8086 0.3614 0.3254 0.126 Uiso 1 1 calc R . .
C6 C 0.7265(3) 0.3523(3) 0.4758(4) 0.0778(17) Uani 1 1 d . . .
H6 H 0.7017 0.3275 0.4203 0.093 Uiso 1 1 calc R . .
C1 C 0.6767(3) 0.4037(2) 0.4529(4) 0.0693(15) Uani 1 1 d . . .
H1 H 0.7032 0.4299 0.5055 0.083 Uiso 1 1 calc R . .
Cl2 Cl 0.5000 0.44939(6) 0.7500 0.0517(4) Uani 1 2 d S . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.309(2) . ?
Dy1 O1 2.309(2) 2_656 ?
Dy1 O2 2.315(2) . ?
Dy1 O2 2.315(2) 2_656 ?
Dy1 O3 2.632(3) 2_656 ?
Dy1 O3 2.632(3) . ?
Dy1 Cl2 2.6860(15) . ?
Dy1 O4 2.729(3) 2_656 ?
Dy1 O4 2.729(3) . ?
Dy1 Zn1 3.5557(4) . ?
Dy1 Zn1 3.5557(4) 2_656 ?
Zn1 O2 2.025(2) . ?
Zn1 N2 2.043(3) . ?
Zn1 O1 2.046(2) . ?
Zn1 N1 2.065(3) . ?
Zn1 Cl1 2.2447(12) . ?
O1 C13 1.333(4) . ?
O2 C21 1.331(4) . ?
O4 C16 1.392(5) . ?
O4 C15 1.445(5) . ?
O3 C12 1.393(4) . ?
O3 C14 1.412(5) . ?
N2 C22 1.274(5) . ?
N2 C1 1.493(5) . ?
C11 C12 1.363(5) . ?
C11 C10 1.398(6) . ?
C11 H11 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C22 C20 1.458(5) . ?
C22 H22 0.9300 . ?
C18 C19 1.360(5) . ?
C18 C17 1.373(6) . ?
C18 H18 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C20 C21 1.399(5) . ?
C20 C19 1.402(5) . ?
N1 C7 1.266(5) . ?
N1 C6 1.446(6) . ?
C19 H19 0.9300 . ?
C7 C8 1.439(5) . ?
C7 H7 0.9300 . ?
C12 C13 1.406(5) . ?
C13 C8 1.400(5) . ?
C10 C9 1.355(6) . ?
C10 H10 0.9300 . ?
C21 C16 1.407(5) . ?
C2 C3 1.484(6) . ?
C2 C1 1.495(6) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C8 C9 1.409(5) . ?
C16 C17 1.370(5) . ?
C17 H17 0.9300 . ?
C5 C4 1.483(7) . ?
C5 C6 1.515(6) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C9 H9 0.9300 . ?
C3 C4 1.469(8) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C6 C1 1.463(7) . ?
C6 H6 0.9800 . ?
C1 H1 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O1 134.04(13) . 2_656 ?
O1 Dy1 O2 65.28(8) . . ?
O1 Dy1 O2 125.68(9) 2_656 . ?
O1 Dy1 O2 125.68(9) . 2_656 ?
O1 Dy1 O2 65.28(8) 2_656 2_656 ?
O2 Dy1 O2 155.59(13) . 2_656 ?
O1 Dy1 O3 81.22(8) . 2_656 ?
O1 Dy1 O3 61.48(8) 2_656 2_656 ?
O2 Dy1 O3 78.98(9) . 2_656 ?
O2 Dy1 O3 122.17(8) 2_656 2_656 ?
O1 Dy1 O3 61.48(8) . . ?
O1 Dy1 O3 81.22(8) 2_656 . ?
O2 Dy1 O3 122.17(8) . . ?
O2 Dy1 O3 78.98(9) 2_656 . ?
O3 Dy1 O3 72.40(13) 2_656 . ?
O1 Dy1 Cl2 112.98(7) . . ?
O1 Dy1 Cl2 112.98(7) 2_656 . ?
O2 Dy1 Cl2 77.79(7) . . ?
O2 Dy1 Cl2 77.79(7) 2_656 . ?
O3 Dy1 Cl2 143.80(6) 2_656 . ?
O3 Dy1 Cl2 143.80(6) . . ?
O1 Dy1 O4 72.39(9) . 2_656 ?
O1 Dy1 O4 123.10(8) 2_656 2_656 ?
O2 Dy1 O4 110.99(9) . 2_656 ?
O2 Dy1 O4 60.66(8) 2_656 2_656 ?
O3 Dy1 O4 143.25(9) 2_656 2_656 ?
O3 Dy1 O4 72.67(9) . 2_656 ?
Cl2 Dy1 O4 71.83(6) . 2_656 ?
O1 Dy1 O4 123.10(8) . . ?
O1 Dy1 O4 72.39(8) 2_656 . ?
O2 Dy1 O4 60.66(8) . . ?
O2 Dy1 O4 110.99(9) 2_656 . ?
O3 Dy1 O4 72.67(9) 2_656 . ?
O3 Dy1 O4 143.25(9) . . ?
Cl2 Dy1 O4 71.83(6) . . ?
O4 Dy1 O4 143.65(12) 2_656 . ?
O1 Dy1 Zn1 32.90(6) . . ?
O1 Dy1 Zn1 139.44(6) 2_656 . ?
O2 Dy1 Zn1 32.38(6) . . ?
O2 Dy1 Zn1 152.59(6) 2_656 . ?
O3 Dy1 Zn1 78.31(5) 2_656 . ?
O3 Dy1 Zn1 92.14(5) . . ?
Cl2 Dy1 Zn1 95.874(9) . . ?
O4 Dy1 Zn1 91.97(6) 2_656 . ?
O4 Dy1 Zn1 91.69(6) . . ?
O1 Dy1 Zn1 139.44(6) . 2_656 ?
O1 Dy1 Zn1 32.90(6) 2_656 2_656 ?
O2 Dy1 Zn1 152.59(6) . 2_656 ?
O2 Dy1 Zn1 32.38(6) 2_656 2_656 ?
O3 Dy1 Zn1 92.14(5) 2_656 2_656 ?
O3 Dy1 Zn1 78.31(5) . 2_656 ?
Cl2 Dy1 Zn1 95.874(8) . 2_656 ?
O4 Dy1 Zn1 91.69(6) 2_656 2_656 ?
O4 Dy1 Zn1 91.97(6) . 2_656 ?
Zn1 Dy1 Zn1 168.251(17) . 2_656 ?
O2 Zn1 N2 88.49(11) . . ?
O2 Zn1 O1 75.56(9) . . ?
N2 Zn1 O1 135.02(13) . . ?
O2 Zn1 N1 142.07(13) . . ?
N2 Zn1 N1 81.03(13) . . ?
O1 Zn1 N1 86.43(11) . . ?
O2 Zn1 Cl1 112.91(8) . . ?
N2 Zn1 Cl1 106.43(11) . . ?
O1 Zn1 Cl1 118.54(9) . . ?
N1 Zn1 Cl1 105.02(11) . . ?
O2 Zn1 Dy1 37.76(7) . . ?
N2 Zn1 Dy1 115.42(9) . . ?
O1 Zn1 Dy1 37.80(6) . . ?
N1 Zn1 Dy1 117.31(10) . . ?
Cl1 Zn1 Dy1 123.38(3) . . ?
C13 O1 Zn1 124.5(2) . . ?
C13 O1 Dy1 126.1(2) . . ?
Zn1 O1 Dy1 109.30(10) . . ?
C21 O2 Zn1 122.5(2) . . ?
C21 O2 Dy1 126.9(2) . . ?
Zn1 O2 Dy1 109.85(11) . . ?
C16 O4 C15 115.2(3) . . ?
C16 O4 Dy1 112.9(2) . . ?
C15 O4 Dy1 118.7(3) . . ?
C12 O3 C14 116.6(3) . . ?
C12 O3 Dy1 114.2(2) . . ?
C14 O3 Dy1 129.1(2) . . ?
C22 N2 C1 122.1(4) . . ?
C22 N2 Zn1 125.1(3) . . ?
C1 N2 Zn1 112.8(3) . . ?
C12 C11 C10 118.7(4) . . ?
C12 C11 H11 120.6 . . ?
C10 C11 H11 120.6 . . ?
O3 C14 H14A 109.5 . . ?
O3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
O3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C22 C20 124.4(4) . . ?
N2 C22 H22 117.8 . . ?
C20 C22 H22 117.8 . . ?
C19 C18 C17 120.3(4) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
O4 C15 H15A 109.5 . . ?
O4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C20 C19 119.3(3) . . ?
C21 C20 C22 123.6(3) . . ?
C19 C20 C22 116.8(4) . . ?
C7 N1 C6 124.9(3) . . ?
C7 N1 Zn1 127.2(3) . . ?
C6 N1 Zn1 107.0(3) . . ?
C18 C19 C20 120.8(4) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
N1 C7 C8 125.3(3) . . ?
N1 C7 H7 117.4 . . ?
C8 C7 H7 117.4 . . ?
C11 C12 O3 125.2(3) . . ?
C11 C12 C13 122.1(3) . . ?
O3 C12 C13 112.7(3) . . ?
O1 C13 C8 124.7(3) . . ?
O1 C13 C12 116.5(3) . . ?
C8 C13 C12 118.7(3) . . ?
C9 C10 C11 120.6(4) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
O2 C21 C20 125.0(3) . . ?
O2 C21 C16 117.0(3) . . ?
C20 C21 C16 118.0(3) . . ?
C3 C2 C1 112.0(4) . . ?
C3 C2 H2A 109.2 . . ?
C1 C2 H2A 109.2 . . ?
C3 C2 H2B 109.2 . . ?
C1 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
C13 C8 C9 118.3(3) . . ?
C13 C8 C7 123.5(3) . . ?
C9 C8 C7 118.2(3) . . ?
C17 C16 O4 125.5(3) . . ?
C17 C16 C21 120.9(4) . . ?
O4 C16 C21 113.6(3) . . ?
C16 C17 C18 120.2(4) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C4 C5 C6 112.5(5) . . ?
C4 C5 H5A 109.1 . . ?
C6 C5 H5A 109.1 . . ?
C4 C5 H5B 109.1 . . ?
C6 C5 H5B 109.1 . . ?
H5A C5 H5B 107.8 . . ?
C10 C9 C8 121.5(4) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C4 C3 C2 115.2(5) . . ?
C4 C3 H3A 108.5 . . ?
C2 C3 H3A 108.5 . . ?
C4 C3 H3B 108.5 . . ?
C2 C3 H3B 108.5 . . ?
H3A C3 H3B 107.5 . . ?
C3 C4 C5 114.7(5) . . ?
C3 C4 H4A 108.6 . . ?
C5 C4 H4A 108.6 . . ?
C3 C4 H4B 108.6 . . ?
C5 C4 H4B 108.6 . . ?
H4A C4 H4B 107.6 . . ?
N1 C6 C1 111.6(4) . . ?
N1 C6 C5 118.7(4) . . ?
C1 C6 C5 113.0(4) . . ?
N1 C6 H6 103.8 . . ?
C1 C6 H6 103.8 . . ?
C5 C6 H6 103.8 . . ?
C6 C1 N2 109.6(4) . . ?
C6 C1 C2 114.7(4) . . ?
N2 C1 C2 116.4(4) . . ?
C6 C1 H1 105.0 . . ?
N2 C1 H1 105.0 . . ?
C2 C1 H1 105.0 . . ?

_diffrn_measured_fraction_theta_max 0.867
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.974
_refine_diff_density_max         0.903
_refine_diff_density_min         -0.843
_refine_diff_density_rms         0.093
