#------------------------------------------------------------------------------
#$Date: 2021-09-29 11:07:25 +0300 (Wed, 29 Sep 2021) $
#$Revision: 269367 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/47/1564750.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_1564750
loop_
_publ_author_name
'Ling Hou, Yin'
'Yang, Ting-Ting'
'Zhao, Wen-Xin'
'Fan, Chen-Juan'
'Yan, Li-Li'
'Guan, Xiao-Fen'
'Ji, Jia'
'Wang, Wen-Min'
_publ_section_title
;
 Modulating SMM behaviors in phenoxo-O bridged Dy2 compounds via different
 β-diketonate
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119595
_journal_paper_doi               10.1016/j.ica.2020.119595
_journal_volume                  507
_journal_year                    2020
_chemical_formula_sum            'C94 H70 Cl4 Dy2 N4 O11'
_chemical_formula_weight         1898.34
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.15(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.126(2)
_cell_length_b                   23.786(5)
_cell_length_c                   15.314(3)
_cell_measurement_reflns_used    12628
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8664
_cell_measurement_theta_min      1.8656
_cell_volume                     3976.2(14)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0516
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            38855
_diffrn_reflns_theta_full        27.89
_diffrn_reflns_theta_max         27.89
_diffrn_reflns_theta_min         1.60
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.066
_exptl_absorpt_correction_T_max  0.7896
_exptl_absorpt_correction_T_min  0.4921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1900
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.129
_refine_diff_density_min         -1.548
_refine_diff_density_rms         0.207
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         9451
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0341
_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)+(0.0458P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0834
_refine_ls_wR_factor_ref         0.0921
_reflns_number_gt                7898
_reflns_number_total             9451
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2020-507-119595.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

data item '_refine_ls_hydrogen_treatment' value 'CONSTR' was changed
to 'constr' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               1564750
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.094662(13) 0.050654(5) 0.440603(8) 0.01352(6) Uani 1 1 d . . .
Cl1 Cl 0.21633(12) 0.31767(5) 0.18152(8) 0.0563(3) Uani 1 1 d . . .
O1 O 0.0872(2) -0.04199(8) 0.50688(14) 0.0159(4) Uani 1 1 d . . .
O2 O 0.0398(2) -0.00565(9) 0.31473(13) 0.0196(5) Uani 1 1 d . . .
O3 O -0.0020(2) 0.10555(9) 0.32490(13) 0.0196(5) Uani 1 1 d . . .
O4 O 0.0916(2) 0.14165(9) 0.49865(13) 0.0198(5) Uani 1 1 d . . .
O5 O 0.2205(2) 0.05300(8) 0.57961(14) 0.0168(5) Uani 1 1 d . . .
N1 N 0.2755(2) -0.00873(10) 0.43015(15) 0.0158(5) Uani 1 1 d . . .
N2 N 0.2660(2) 0.09652(11) 0.36239(16) 0.0179(6) Uani 1 1 d . . .
C1 C 0.2855(3) -0.05868(12) 0.4740(2) 0.0168(6) Uani 1 1 d . . .
C2 C 0.1854(3) -0.07526(13) 0.51522(19) 0.0163(6) Uani 1 1 d . . .
C3 C 0.1980(3) -0.12535(13) 0.5621(2) 0.0204(7) Uani 1 1 d . . .
H3 H 0.1332 -0.1378 0.5896 0.024 Uiso 1 1 calc R . .
C4 C 0.3050(3) -0.15843(13) 0.5698(2) 0.0247(7) Uani 1 1 d . . .
H4 H 0.3104 -0.1924 0.6031 0.030 Uiso 1 1 calc R . .
C5 C 0.4008(3) -0.14339(14) 0.5314(2) 0.0255(8) Uani 1 1 d . . .
H5 H 0.4724 -0.1660 0.5387 0.031 Uiso 1 1 calc R . .
C6 C 0.3916(3) -0.09352(13) 0.4803(2) 0.0207(7) Uani 1 1 d . . .
C7 C 0.4837(3) -0.07467(15) 0.4352(2) 0.0266(8) Uani 1 1 d . . .
H7 H 0.5550 -0.0969 0.4366 0.032 Uiso 1 1 calc R . .
C8 C 0.4715(3) -0.02498(14) 0.3897(2) 0.0264(8) Uani 1 1 d . . .
H8 H 0.5328 -0.0128 0.3585 0.032 Uiso 1 1 calc R . .
C9 C 0.3665(3) 0.00761(13) 0.3900(2) 0.0199(7) Uani 1 1 d . . .
C10 C 0.3512(3) 0.06352(14) 0.3489(2) 0.0218(7) Uani 1 1 d . . .
H10 H 0.4055 0.0754 0.3117 0.026 Uiso 1 1 calc R . .
C11 C 0.2567(3) 0.14979(14) 0.3179(2) 0.0221(7) Uani 1 1 d . . .
C12 C 0.2422(4) 0.19717(15) 0.3664(2) 0.0342(9) Uani 1 1 d . . .
H12 H 0.2397 0.1942 0.4279 0.041 Uiso 1 1 calc R . .
C13 C 0.2311(4) 0.24969(16) 0.3246(3) 0.0402(10) Uani 1 1 d . . .
H13 H 0.2208 0.2827 0.3573 0.048 Uiso 1 1 calc R . .
C14 C 0.2352(4) 0.25293(17) 0.2348(3) 0.0388(10) Uani 1 1 d . . .
C15 C 0.2493(4) 0.20557(17) 0.1859(3) 0.0391(10) Uani 1 1 d . . .
H15 H 0.2526 0.2087 0.1245 0.047 Uiso 1 1 calc R . .
C16 C 0.2585(4) 0.15298(16) 0.2272(2) 0.0320(9) Uani 1 1 d . . .
H16 H 0.2660 0.1198 0.1940 0.038 Uiso 1 1 calc R . .
C17 C 0.0226(3) -0.10171(13) 0.2152(2) 0.0230(7) Uani 1 1 d . . .
H17 H 0.0628 -0.1026 0.2758 0.028 Uiso 1 1 calc R . .
C18 C 0.0004(3) -0.15186(15) 0.1678(2) 0.0297(8) Uani 1 1 d . . .
H18 H 0.0254 -0.1866 0.1961 0.036 Uiso 1 1 calc R . .
C19 C -0.0581(4) -0.15091(16) 0.0795(2) 0.0357(9) Uani 1 1 d . . .
H19 H -0.0741 -0.1850 0.0470 0.043 Uiso 1 1 calc R . .
C20 C -0.0934(4) -0.09957(18) 0.0382(2) 0.0395(10) Uani 1 1 d . . .
H20 H -0.1332 -0.0987 -0.0225 0.047 Uiso 1 1 calc R . .
C21 C -0.0706(4) -0.05005(14) 0.0854(2) 0.0298(9) Uani 1 1 d . . .
H21 H -0.0943 -0.0153 0.0566 0.036 Uiso 1 1 calc R . .
C22 C -0.0129(3) -0.05041(13) 0.1752(2) 0.0203(7) Uani 1 1 d . . .
C23 C 0.0061(3) 0.00162(13) 0.2310(2) 0.0188(7) Uani 1 1 d . . .
C24 C -0.0178(3) 0.05492(13) 0.1912(2) 0.0227(7) Uani 1 1 d . . .
H24 H -0.0296 0.0577 0.1282 0.027 Uiso 1 1 calc R . .
C25 C -0.0248(3) 0.10384(13) 0.24037(19) 0.0186(7) Uani 1 1 d . . .
C26 C -0.0616(3) 0.15856(14) 0.1940(2) 0.0212(7) Uani 1 1 d . . .
C27 C -0.0934(4) 0.16407(16) 0.1020(2) 0.0389(10) Uani 1 1 d . . .
H27 H -0.0977 0.1316 0.0655 0.047 Uiso 1 1 calc R . .
C28 C -0.1187(4) 0.21634(18) 0.0630(2) 0.0464(12) Uani 1 1 d . . .
H28 H -0.1414 0.2193 0.0001 0.056 Uiso 1 1 calc R . .
C29 C -0.1114(4) 0.26387(16) 0.1145(2) 0.0338(9) Uani 1 1 d . . .
H29 H -0.1274 0.2998 0.0875 0.041 Uiso 1 1 calc R . .
C30 C -0.0809(4) 0.25907(15) 0.2051(2) 0.0325(9) Uani 1 1 d . . .
H30 H -0.0767 0.2918 0.2411 0.039 Uiso 1 1 calc R . .
C31 C -0.0562(3) 0.20700(14) 0.2446(2) 0.0284(8) Uani 1 1 d . . .
H31 H -0.0351 0.2044 0.3076 0.034 Uiso 1 1 calc R . .
C32 C 0.0017(4) 0.24836(14) 0.5085(2) 0.0313(9) Uani 1 1 d . . .
H32 H -0.0176 0.2277 0.4545 0.038 Uiso 1 1 calc R . .
C33 C -0.0374(4) 0.30339(15) 0.5106(2) 0.0385(10) Uani 1 1 d . . .
H33 H -0.0840 0.3201 0.4585 0.046 Uiso 1 1 calc R . .
C34 C -0.0086(4) 0.33425(14) 0.5886(2) 0.0327(9) Uani 1 1 d . . .
H34 H -0.0347 0.3722 0.5900 0.039 Uiso 1 1 calc R . .
C35 C 0.0576(3) 0.30978(14) 0.6637(2) 0.0285(8) Uani 1 1 d . . .
H35 H 0.0771 0.3307 0.7174 0.034 Uiso 1 1 calc R . .
C36 C 0.0962(3) 0.25458(13) 0.6613(2) 0.0249(7) Uani 1 1 d . . .
H36 H 0.1426 0.2381 0.7137 0.030 Uiso 1 1 calc R . .
C37 C 0.0684(3) 0.22268(12) 0.5836(2) 0.0185(6) Uani 1 1 d . . .
C38 C 0.1112(3) 0.16331(12) 0.57648(19) 0.0178(6) Uani 1 1 d . . .
C39 C 0.1703(3) 0.13451(12) 0.65267(19) 0.0186(7) Uani 1 1 d . . .
H39 H 0.1759 0.1523 0.7089 0.022 Uiso 1 1 calc R . .
C40 C 0.2214(3) 0.08088(13) 0.65017(18) 0.0153(6) Uani 1 1 d . . .
C41 C 0.2788(3) 0.05240(12) 0.7357(2) 0.0167(6) Uani 1 1 d . . .
C42 C 0.3267(3) 0.08184(14) 0.8132(2) 0.0250(8) Uani 1 1 d . . .
H42 H 0.3262 0.1218 0.8132 0.030 Uiso 1 1 calc R . .
C43 C 0.3754(4) 0.05260(14) 0.8909(2) 0.0319(9) Uani 1 1 d . . .
H43 H 0.4083 0.0728 0.9437 0.038 Uiso 1 1 calc R . .
C44 C 0.3764(3) -0.00523(15) 0.8918(2) 0.0284(8) Uani 1 1 d . . .
H44 H 0.4095 -0.0248 0.9451 0.034 Uiso 1 1 calc R . .
C45 C 0.3292(3) -0.03471(14) 0.8154(2) 0.0267(8) Uani 1 1 d . . .
H45 H 0.3295 -0.0746 0.8161 0.032 Uiso 1 1 calc R . .
C46 C 0.2811(3) -0.00604(13) 0.7371(2) 0.0213(7) Uani 1 1 d . . .
H46 H 0.2497 -0.0265 0.6844 0.026 Uiso 1 1 calc R . .
Cl2 Cl 0.6897(3) 0.10644(12) 0.92287(19) 0.0805(9) Uani 0.50 1 d PDU A 1
Cl3 Cl 0.7028(4) -0.01390(16) 0.8679(3) 0.0690(11) Uani 0.50 1 d PDU A 1
C47 C 0.6764(11) 0.0598(3) 0.8324(5) 0.057(3) Uani 0.50 1 d PDU A 1
O6 O 0.6991(9) 0.0135(3) 0.8751(6) 0.054(2) Uani 0.50 1 d PDU B 2
C48 C 0.6999(11) 0.0771(3) 0.8717(8) 0.064(3) Uani 0.50 1 d PDU B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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
O3 Dy1 O5 143.86(7) . .
O3 Dy1 O1 90.46(8) . 3_556
O5 Dy1 O1 95.53(8) . 3_556
O3 Dy1 O2 71.31(8) . .
O5 Dy1 O2 142.28(7) . .
O1 Dy1 O2 97.41(8) 3_556 .
O3 Dy1 O4 74.23(7) . .
O5 Dy1 O4 71.27(7) . .
O1 Dy1 O4 82.72(7) 3_556 .
O2 Dy1 O4 145.53(7) . .
O3 Dy1 O1 142.03(7) . .
O5 Dy1 O1 72.63(7) . .
O1 Dy1 O1 70.94(8) 3_556 .
O2 Dy1 O1 78.46(7) . .
O4 Dy1 O1 132.38(8) . .
O3 Dy1 N1 122.52(8) . .
O5 Dy1 N1 73.71(8) . .
O1 Dy1 N1 137.73(8) 3_556 .
O2 Dy1 N1 72.92(8) . .
O4 Dy1 N1 128.32(8) . .
O1 Dy1 N1 66.82(8) . .
O3 Dy1 N2 71.95(8) . .
O5 Dy1 N2 92.59(8) . .
O1 Dy1 N2 159.15(8) 3_556 .
O2 Dy1 N2 87.67(8) . .
O4 Dy1 N2 81.76(8) . .
O1 Dy1 N2 129.90(8) . .
N1 Dy1 N2 63.08(8) . .
O3 Dy1 Dy1 119.98(6) . 3_556
O5 Dy1 Dy1 82.55(6) . 3_556
O1 Dy1 Dy1 36.40(5) 3_556 3_556
O2 Dy1 Dy1 87.23(6) . 3_556
O4 Dy1 Dy1 110.31(6) . 3_556
O1 Dy1 Dy1 34.54(5) . 3_556
N1 Dy1 Dy1 101.35(6) . 3_556
N2 Dy1 Dy1 164.43(6) . 3_556
C2 O1 Dy1 131.68(19) . 3_556
C2 O1 Dy1 118.87(19) . .
Dy1 O1 Dy1 109.06(8) 3_556 .
C23 O2 Dy1 137.1(2) . .
C25 O3 Dy1 137.7(2) . .
C38 O4 Dy1 135.57(19) . .
C40 O5 Dy1 134.5(2) . .
C9 N1 C1 118.9(3) . .
C9 N1 Dy1 123.8(2) . .
C1 N1 Dy1 117.0(2) . .
C10 N2 C11 117.0(3) . .
C10 N2 Dy1 115.9(2) . .
C11 N2 Dy1 125.6(2) . .
N1 C1 C6 121.9(3) . .
N1 C1 C2 117.4(3) . .
C6 C1 C2 120.7(3) . .
O1 C2 C3 123.9(3) . .
O1 C2 C1 119.0(3) . .
C3 C2 C1 117.1(3) . .
C2 C3 C4 121.5(3) . .
C2 C3 H3 119.3 . .
C4 C3 H3 119.3 . .
C5 C4 C3 122.3(3) . .
C5 C4 H4 118.8 . .
C3 C4 H4 118.8 . .
C4 C5 C6 118.8(3) . .
C4 C5 H5 120.6 . .
C6 C5 H5 120.6 . .
C5 C6 C7 123.7(3) . .
C5 C6 C1 119.6(3) . .
C7 C6 C1 116.7(3) . .
C8 C7 C6 120.9(3) . .
C8 C7 H7 119.5 . .
C6 C7 H7 119.5 . .
C7 C8 C9 118.5(3) . .
C7 C8 H8 120.8 . .
C9 C8 H8 120.8 . .
N1 C9 C8 123.0(3) . .
N1 C9 C10 115.1(3) . .
C8 C9 C10 121.8(3) . .
N2 C10 C9 121.1(3) . .
N2 C10 H10 119.5 . .
C9 C10 H10 119.5 . .
C12 C11 C16 121.2(3) . .
C12 C11 N2 118.2(3) . .
C16 C11 N2 120.5(3) . .
C11 C12 C13 119.6(3) . .
C11 C12 H12 120.2 . .
C13 C12 H12 120.2 . .
C14 C13 C12 119.1(4) . .
C14 C13 H13 120.5 . .
C12 C13 H13 120.5 . .
C15 C14 C13 121.5(4) . .
C15 C14 Cl1 119.0(3) . .
C13 C14 Cl1 119.4(3) . .
C14 C15 C16 119.5(4) . .
C14 C15 H15 120.3 . .
C16 C15 H15 120.3 . .
C11 C16 C15 119.0(3) . .
C11 C16 H16 120.5 . .
C15 C16 H16 120.5 . .
C22 C17 C18 121.1(3) . .
C22 C17 H17 119.5 . .
C18 C17 H17 119.5 . .
C19 C18 C17 119.9(3) . .
C19 C18 H18 120.1 . .
C17 C18 H18 120.1 . .
C18 C19 C20 119.7(3) . .
C18 C19 H19 120.2 . .
C20 C19 H19 120.2 . .
C21 C20 C19 120.2(3) . .
C21 C20 H20 119.9 . .
C19 C20 H20 119.9 . .
C20 C21 C22 120.8(3) . .
C20 C21 H21 119.6 . .
C22 C21 H21 119.6 . .
C17 C22 C21 118.4(3) . .
C17 C22 C23 118.6(3) . .
C21 C22 C23 122.9(3) . .
O2 C23 C24 123.4(3) . .
O2 C23 C22 116.3(3) . .
C24 C23 C22 120.2(3) . .
C25 C24 C23 122.8(3) . .
C25 C24 H24 118.6 . .
C23 C24 H24 118.6 . .
O3 C25 C24 123.7(3) . .
O3 C25 C26 115.9(3) . .
C24 C25 C26 120.4(3) . .
C31 C26 C27 117.6(3) . .
C31 C26 C25 118.6(3) . .
C27 C26 C25 123.6(3) . .
C28 C27 C26 120.8(3) . .
C28 C27 H27 119.6 . .
C26 C27 H27 119.6 . .
C29 C28 C27 120.5(3) . .
C29 C28 H28 119.7 . .
C27 C28 H28 119.7 . .
C30 C29 C28 119.3(3) . .
C30 C29 H29 120.3 . .
C28 C29 H29 120.3 . .
C29 C30 C31 120.5(3) . .
C29 C30 H30 119.7 . .
C31 C30 H30 119.7 . .
C30 C31 C26 121.1(3) . .
C30 C31 H31 119.4 . .
C26 C31 H31 119.4 . .
C33 C32 C37 121.3(3) . .
C33 C32 H32 119.4 . .
C37 C32 H32 119.4 . .
C32 C33 C34 120.0(3) . .
C32 C33 H33 120.0 . .
C34 C33 H33 120.0 . .
C35 C34 C33 119.7(3) . .
C35 C34 H34 120.1 . .
C33 C34 H34 120.1 . .
C34 C35 C36 120.0(3) . .
C34 C35 H35 120.0 . .
C36 C35 H35 120.0 . .
C35 C36 C37 121.3(3) . .
C35 C36 H36 119.3 . .
C37 C36 H36 119.3 . .
C32 C37 C36 117.6(3) . .
C32 C37 C38 118.7(3) . .
C36 C37 C38 123.6(3) . .
O4 C38 C39 123.2(3) . .
O4 C38 C37 116.6(3) . .
C39 C38 C37 120.2(3) . .
C40 C39 C38 123.4(3) . .
C40 C39 H39 118.3 . .
C38 C39 H39 118.3 . .
O5 C40 C39 124.4(3) . .
O5 C40 C41 116.0(3) . .
C39 C40 C41 119.6(3) . .
C46 C41 C42 119.1(3) . .
C46 C41 C40 117.9(3) . .
C42 C41 C40 123.0(3) . .
C41 C42 C43 119.9(3) . .
C41 C42 H42 120.1 . .
C43 C42 H42 120.1 . .
C44 C43 C42 120.5(3) . .
C44 C43 H43 119.7 . .
C42 C43 H43 119.7 . .
C43 C44 C45 120.0(3) . .
C43 C44 H44 120.0 . .
C45 C44 H44 120.0 . .
C44 C45 C46 120.1(3) . .
C44 C45 H45 120.0 . .
C46 C45 H45 120.0 . .
C41 C46 C45 120.4(3) . .
C41 C46 H46 119.8 . .
C45 C46 H46 119.8 . .
Cl2 C47 Cl3 112.5(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O3 2.294(2) .
Dy1 O5 2.311(2) .
Dy1 O1 2.326(2) 3_556
Dy1 O2 2.330(2) .
Dy1 O4 2.342(2) .
Dy1 O1 2.434(2) .
Dy1 N1 2.489(3) .
Dy1 N2 2.672(3) .
Dy1 Dy1 3.8776(7) 3_556
Cl1 C14 1.737(4) .
O1 C2 1.336(4) .
O1 Dy1 2.326(2) 3_556
O2 C23 1.276(4) .
O3 C25 1.271(3) .
O4 C38 1.278(3) .
O5 C40 1.266(3) .
N1 C9 1.340(4) .
N1 C1 1.359(4) .
N2 C10 1.278(4) .
N2 C11 1.433(4) .
C1 C6 1.430(4) .
C1 C2 1.437(4) .
C2 C3 1.384(4) .
C3 C4 1.413(4) .
C3 H3 0.9500 .
C4 C5 1.361(5) .
C4 H4 0.9500 .
C5 C6 1.414(4) .
C5 H5 0.9500 .
C6 C7 1.415(5) .
C7 C8 1.365(5) .
C7 H7 0.9500 .
C8 C9 1.403(4) .
C8 H8 0.9500 .
C9 C10 1.467(4) .
C10 H10 0.9500 .
C11 C12 1.376(5) .
C11 C16 1.395(4) .
C12 C13 1.398(5) .
C12 H12 0.9500 .
C13 C14 1.387(5) .
C13 H13 0.9500 .
C14 C15 1.379(6) .
C15 C16 1.396(5) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 C22 1.388(4) .
C17 C18 1.394(4) .
C17 H17 0.9500 .
C18 C19 1.383(5) .
C18 H18 0.9500 .
C19 C20 1.396(6) .
C19 H19 0.9500 .
C20 C21 1.379(5) .
C20 H20 0.9500 .
C21 C22 1.401(5) .
C21 H21 0.9500 .
C22 C23 1.495(4) .
C23 C24 1.409(4) .
C24 C25 1.397(4) .
C24 H24 0.9500 .
C25 C26 1.501(4) .
C26 C31 1.384(4) .
C26 C27 1.391(4) .
C27 C28 1.384(5) .
C27 H27 0.9500 .
C28 C29 1.371(5) .
C28 H28 0.9500 .
C29 C30 1.368(5) .
C29 H29 0.9500 .
C30 C31 1.383(5) .
C30 H30 0.9500 .
C31 H31 0.9500 .
C32 C33 1.382(5) .
C32 C37 1.385(4) .
C32 H32 0.9500 .
C33 C34 1.386(5) .
C33 H33 0.9500 .
C34 C35 1.370(5) .
C34 H34 0.9500 .
C35 C36 1.384(4) .
C35 H35 0.9500 .
C36 C37 1.394(4) .
C36 H36 0.9500 .
C37 C38 1.501(4) .
C38 C39 1.402(4) .
C39 C40 1.400(4) .
C39 H39 0.9500 .
C40 C41 1.503(4) .
C41 C46 1.390(4) .
C41 C42 1.392(4) .
C42 C43 1.394(5) .
C42 H42 0.9500 .
C43 C44 1.376(5) .
C43 H43 0.9500 .
C44 C45 1.378(5) .
C44 H44 0.9500 .
C45 C46 1.393(4) .
C45 H45 0.9500 .
C46 H46 0.9500 .
Cl2 C47 1.759(7) .
Cl3 C47 1.842(8) .
O6 C48 1.514(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
O3 Dy1 O1 C2 121.7(2) . . . .
O5 Dy1 O1 C2 -71.3(2) . . . .
O1 Dy1 O1 C2 -173.7(2) 3_556 . . .
O2 Dy1 O1 C2 84.2(2) . . . .
O4 Dy1 O1 C2 -113.4(2) . . . .
N1 Dy1 O1 C2 8.04(19) . . . .
N2 Dy1 O1 C2 7.2(2) . . . .
Dy1 Dy1 O1 C2 -173.7(2) 3_556 . . .
O3 Dy1 O1 Dy1 -64.61(15) . . . 3_556
O5 Dy1 O1 Dy1 102.41(10) . . . 3_556
O1 Dy1 O1 Dy1 0.0 3_556 . . 3_556
O2 Dy1 O1 Dy1 -102.11(10) . . . 3_556
O4 Dy1 O1 Dy1 60.22(13) . . . 3_556
N1 Dy1 O1 Dy1 -178.29(11) . . . 3_556
N2 Dy1 O1 Dy1 -179.12(7) . . . 3_556
O3 Dy1 O2 C23 15.7(3) . . . .
O5 Dy1 O2 C23 -147.3(3) . . . .
O1 Dy1 O2 C23 103.6(3) 3_556 . . .
O4 Dy1 O2 C23 15.7(4) . . . .
O1 Dy1 O2 C23 172.4(3) . . . .
N1 Dy1 O2 C23 -118.6(3) . . . .
N2 Dy1 O2 C23 -56.0(3) . . . .
Dy1 Dy1 O2 C23 138.7(3) 3_556 . . .
O5 Dy1 O3 C25 140.8(3) . . . .
O1 Dy1 O3 C25 -119.2(3) 3_556 . . .
O2 Dy1 O3 C25 -21.5(3) . . . .
O4 Dy1 O3 C25 158.5(3) . . . .
O1 Dy1 O3 C25 -60.5(4) . . . .
N1 Dy1 O3 C25 32.8(3) . . . .
N2 Dy1 O3 C25 72.2(3) . . . .
Dy1 Dy1 O3 C25 -96.8(3) 3_556 . . .
O3 Dy1 O4 C38 166.4(3) . . . .
O5 Dy1 O4 C38 -24.5(3) . . . .
O1 Dy1 O4 C38 73.9(3) 3_556 . . .
O2 Dy1 O4 C38 166.3(3) . . . .
O1 Dy1 O4 C38 18.1(3) . . . .
N1 Dy1 O4 C38 -74.3(3) . . . .
N2 Dy1 O4 C38 -120.1(3) . . . .
Dy1 Dy1 O4 C38 49.7(3) 3_556 . . .
O3 Dy1 O5 C40 48.1(3) . . . .
O1 Dy1 O5 C40 -50.3(3) 3_556 . . .
O2 Dy1 O5 C40 -160.0(2) . . . .
O4 Dy1 O5 C40 30.1(3) . . . .
O1 Dy1 O5 C40 -118.3(3) . . . .
N1 Dy1 O5 C40 171.4(3) . . . .
N2 Dy1 O5 C40 110.5(3) . . . .
Dy1 Dy1 O5 C40 -84.4(3) 3_556 . . .
O3 Dy1 N1 C9 40.1(3) . . . .
O5 Dy1 N1 C9 -104.2(2) . . . .
O1 Dy1 N1 C9 175.8(2) 3_556 . . .
O2 Dy1 N1 C9 93.7(2) . . . .
O4 Dy1 N1 C9 -55.3(2) . . . .
O1 Dy1 N1 C9 178.1(2) . . . .
N2 Dy1 N1 C9 -2.6(2) . . . .
Dy1 Dy1 N1 C9 177.2(2) 3_556 . . .
O3 Dy1 N1 C1 -145.13(19) . . . .
O5 Dy1 N1 C1 70.6(2) . . . .
O1 Dy1 N1 C1 -9.4(3) 3_556 . . .
O2 Dy1 N1 C1 -91.5(2) . . . .
O4 Dy1 N1 C1 119.5(2) . . . .
O1 Dy1 N1 C1 -7.05(19) . . . .
N2 Dy1 N1 C1 172.2(2) . . . .
Dy1 Dy1 N1 C1 -8.0(2) 3_556 . . .
O3 Dy1 N2 C10 -135.7(2) . . . .
O5 Dy1 N2 C10 77.6(2) . . . .
O1 Dy1 N2 C10 -169.4(2) 3_556 . . .
O2 Dy1 N2 C10 -64.6(2) . . . .
O4 Dy1 N2 C10 148.3(2) . . . .
O1 Dy1 N2 C10 8.2(3) . . . .
N1 Dy1 N2 C10 7.4(2) . . . .
Dy1 Dy1 N2 C10 6.3(4) 3_556 . . .
O3 Dy1 N2 C11 29.9(2) . . . .
O5 Dy1 N2 C11 -116.7(2) . . . .
O1 Dy1 N2 C11 -3.8(4) 3_556 . . .
O2 Dy1 N2 C11 101.0(2) . . . .
O4 Dy1 N2 C11 -46.1(2) . . . .
O1 Dy1 N2 C11 173.9(2) . . . .
N1 Dy1 N2 C11 173.0(2) . . . .
Dy1 Dy1 N2 C11 171.98(16) 3_556 . . .
C9 N1 C1 C6 1.6(4) . . . .
Dy1 N1 C1 C6 -173.4(2) . . . .
C9 N1 C1 C2 -179.1(3) . . . .
Dy1 N1 C1 C2 5.8(3) . . . .
Dy1 O1 C2 C3 -0.9(4) 3_556 . . .
Dy1 O1 C2 C3 171.1(2) . . . .
Dy1 O1 C2 C1 179.52(19) 3_556 . . .
Dy1 O1 C2 C1 -8.5(3) . . . .
N1 C1 C2 O1 1.6(4) . . . .
C6 C1 C2 O1 -179.1(3) . . . .
N1 C1 C2 C3 -178.0(3) . . . .
C6 C1 C2 C3 1.2(4) . . . .
O1 C2 C3 C4 -179.0(3) . . . .
C1 C2 C3 C4 0.7(4) . . . .
C2 C3 C4 C5 -0.6(5) . . . .
C3 C4 C5 C6 -1.4(5) . . . .
C4 C5 C6 C7 -178.1(3) . . . .
C4 C5 C6 C1 3.2(5) . . . .
N1 C1 C6 C5 176.0(3) . . . .
C2 C1 C6 C5 -3.2(4) . . . .
N1 C1 C6 C7 -2.8(4) . . . .
C2 C1 C6 C7 178.0(3) . . . .
C5 C6 C7 C8 -177.5(3) . . . .
C1 C6 C7 C8 1.3(5) . . . .
C6 C7 C8 C9 1.2(5) . . . .
C1 N1 C9 C8 1.1(4) . . . .
Dy1 N1 C9 C8 175.8(2) . . . .
C1 N1 C9 C10 -176.5(3) . . . .
Dy1 N1 C9 C10 -1.8(4) . . . .
C7 C8 C9 N1 -2.5(5) . . . .
C7 C8 C9 C10 174.9(3) . . . .
C11 N2 C10 C9 -178.7(3) . . . .
Dy1 N2 C10 C9 -11.8(4) . . . .
N1 C9 C10 N2 9.5(4) . . . .
C8 C9 C10 N2 -168.1(3) . . . .
C10 N2 C11 C12 -133.8(4) . . . .
Dy1 N2 C11 C12 60.7(4) . . . .
C10 N2 C11 C16 48.2(4) . . . .
Dy1 N2 C11 C16 -117.3(3) . . . .
C16 C11 C12 C13 -1.1(6) . . . .
N2 C11 C12 C13 -179.1(3) . . . .
C11 C12 C13 C14 -0.1(6) . . . .
C12 C13 C14 C15 0.4(7) . . . .
C12 C13 C14 Cl1 177.9(3) . . . .
C13 C14 C15 C16 0.6(7) . . . .
Cl1 C14 C15 C16 -176.9(3) . . . .
C12 C11 C16 C15 2.0(6) . . . .
N2 C11 C16 C15 180.0(3) . . . .
C14 C15 C16 C11 -1.7(6) . . . .
C22 C17 C18 C19 -0.1(6) . . . .
C17 C18 C19 C20 0.6(6) . . . .
C18 C19 C20 C21 -0.3(6) . . . .
C19 C20 C21 C22 -0.5(6) . . . .
C18 C17 C22 C21 -0.8(5) . . . .
C18 C17 C22 C23 176.1(3) . . . .
C20 C21 C22 C17 1.1(6) . . . .
C20 C21 C22 C23 -175.7(4) . . . .
Dy1 O2 C23 C24 -6.0(5) . . . .
Dy1 O2 C23 C22 176.7(2) . . . .
C17 C22 C23 O2 -8.7(5) . . . .
C21 C22 C23 O2 168.0(3) . . . .
C17 C22 C23 C24 173.9(3) . . . .
C21 C22 C23 C24 -9.4(5) . . . .
O2 C23 C24 C25 -10.0(6) . . . .
C22 C23 C24 C25 167.2(3) . . . .
Dy1 O3 C25 C24 16.9(5) . . . .
Dy1 O3 C25 C26 -163.3(2) . . . .
C23 C24 C25 O3 5.2(6) . . . .
C23 C24 C25 C26 -174.5(3) . . . .
O3 C25 C26 C31 6.4(5) . . . .
C24 C25 C26 C31 -173.9(3) . . . .
O3 C25 C26 C27 -178.0(4) . . . .
C24 C25 C26 C27 1.7(5) . . . .
C31 C26 C27 C28 -0.1(6) . . . .
C25 C26 C27 C28 -175.8(4) . . . .
C26 C27 C28 C29 0.9(7) . . . .
C27 C28 C29 C30 -1.2(7) . . . .
C28 C29 C30 C31 0.8(6) . . . .
C29 C30 C31 C26 0.0(6) . . . .
C27 C26 C31 C30 -0.3(6) . . . .
C25 C26 C31 C30 175.6(3) . . . .
C37 C32 C33 C34 0.8(7) . . . .
C32 C33 C34 C35 -0.6(7) . . . .
C33 C34 C35 C36 0.4(6) . . . .
C34 C35 C36 C37 -0.4(6) . . . .
C33 C32 C37 C36 -0.8(6) . . . .
C33 C32 C37 C38 -178.3(4) . . . .
C35 C36 C37 C32 0.6(6) . . . .
C35 C36 C37 C38 178.0(3) . . . .
Dy1 O4 C38 C39 15.3(5) . . . .
Dy1 O4 C38 C37 -165.2(2) . . . .
C32 C37 C38 O4 5.7(5) . . . .
C36 C37 C38 O4 -171.7(3) . . . .
C32 C37 C38 C39 -174.8(3) . . . .
C36 C37 C38 C39 7.8(5) . . . .
O4 C38 C39 C40 4.8(5) . . . .
C37 C38 C39 C40 -174.7(3) . . . .
Dy1 O5 C40 C39 -26.7(5) . . . .
Dy1 O5 C40 C41 151.6(2) . . . .
C38 C39 C40 O5 0.5(5) . . . .
C38 C39 C40 C41 -177.8(3) . . . .
O5 C40 C41 C46 -25.2(4) . . . .
C39 C40 C41 C46 153.2(3) . . . .
O5 C40 C41 C42 156.3(3) . . . .
C39 C40 C41 C42 -25.3(5) . . . .
C46 C41 C42 C43 -0.3(5) . . . .
C40 C41 C42 C43 178.1(3) . . . .
C41 C42 C43 C44 -0.2(6) . . . .
C42 C43 C44 C45 0.2(6) . . . .
C43 C44 C45 C46 0.3(6) . . . .
C42 C41 C46 C45 0.9(5) . . . .
C40 C41 C46 C45 -177.7(3) . . . .
C44 C45 C46 C41 -0.8(6) . . . .
