#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/68/1536868.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1536868
loop_
_publ_author_name
'Sun, Wen-Bin'
'Yan, Peng-Fei'
'Jiang, Shang-Da'
'Wang, Bing-Wu'
'Zhang, Yi-Quan'
'Li, Hong-Feng'
'Chen, Peng'
'Wang, Zhe-Ming'
'Gao, Song'
_publ_section_title
;
 High symmetry or low symmetry, that is the question -- high performance
 Dy(iii) single-ion magnets by electrostatic potential design
;
_journal_issue                   1
_journal_name_full               'Chem. Sci.'
_journal_page_first              684
_journal_paper_doi               10.1039/C5SC02986D
_journal_volume                  7
_journal_year                    2016
_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
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-09-09 deposited with the CCDC.
2015-10-09 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.77(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.203(3)
_cell_length_b                   22.757(5)
_cell_length_c                   14.315(3)
_cell_measurement_temperature    293(2)
_cell_volume                     5104.0(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_av_sigmaI/netI    0.0527
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23835
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    2.590
_exptl_absorpt_correction_T_max  0.6254
_exptl_absorpt_correction_T_min  0.5308
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2307
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.747
_refine_diff_density_min         -0.849
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5794
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0402
_refine_ls_shift/su_max          0.063
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0419P)²+10.0029P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.0976
_reflns_number_gt                4766
_reflns_number_total             5794
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5sc02986d2.cif
_cod_data_source_block           h250
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 1536868--1536871.cif.
;
_cod_original_cell_volume        5104.0(18)
_cod_original_sg_symbol_Hall     '-C 2yc '
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1536868
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'
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
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
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'
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
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_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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_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
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) .
