#------------------------------------------------------------------------------
#$Date: 2020-03-05 02:16:21 +0200 (Thu, 05 Mar 2020) $
#$Revision: 248977 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/33/7703397.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_7703397
loop_
_publ_author_name
'Wang, Yun-Juan'
'Wu, Dong-Fang'
'Gou, Jian'
'Duan, Yao-Yao'
'Li, Ling'
'Chen, Huan-Huan'
'Gao, Hong-Ling'
'Cui, Jian-Zhong'
_publ_section_title
;
 Modulation of the properties of dinuclear lanthanide complexes through
 utilizing different β-diketonate co-ligands: near-infrared luminescence
 and magnetization dynamics.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2850
_journal_page_last               2861
_journal_paper_doi               10.1039/c9dt04093e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C46 H38 Cl4 Dy2 F6 N8 O10 S2'
_chemical_formula_weight         1507.76
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-07-11 deposited with the CCDC.	2020-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                113.07(3)
_cell_angle_beta                 104.13(3)
_cell_angle_gamma                102.28(3)
_cell_formula_units_Z            1
_cell_length_a                   10.583(2)
_cell_length_b                   11.808(2)
_cell_length_c                   12.599(3)
_cell_measurement_reflns_used    4088
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8505
_cell_measurement_theta_min      1.8866
_cell_volume                     1318.1(7)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12858
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.020
_diffrn_reflns_theta_max         25.020
_diffrn_reflns_theta_min         1.998
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.180
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.8529
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.899
_exptl_crystal_description       block
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.499
_refine_diff_density_min         -1.734
_refine_diff_density_rms         0.256
_refine_ls_extinction_coef       0.0074(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         4626
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0922P)²+6.1919P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1105
_refine_ls_wR_factor_ref         0.1387
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4345
_reflns_number_total             4626
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt04093e2.cif
_cod_data_source_block           shelxl_CCDC3
_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
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7703389--7703398.cif.
;
_cod_original_cell_volume        1318.1(6)
_cod_database_code               7703397
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.569
_shelx_estimated_absorpt_t_max   0.701
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Dy1 Dy 0.29570(3) 0.40565(3) 0.91143(3) 0.01364(18) Uani 1 1 d . .
S1 S -0.1664(2) 0.2432(3) 0.56494(19) 0.0382(5) Uani 1 1 d . .
F1 F 0.3741(5) 0.0635(5) 0.4806(4) 0.0401(13) Uani 1 1 d . .
F2 F 0.5029(6) 0.2643(6) 0.5609(5) 0.0506(15) Uani 1 1 d . .
F3 F 0.5263(6) 0.1577(6) 0.6645(5) 0.0499(15) Uani 1 1 d . .
O1 O 0.5131(5) 0.4033(4) 1.0194(4) 0.0157(10) Uani 1 1 d . .
O2 O 0.0944(5) 0.3400(5) 0.9279(5) 0.0212(11) Uani 1 1 d . .
O3 O 0.1235(5) 0.3181(5) 0.7118(5) 0.0253(11) Uani 1 1 d . .
O4 O 0.3876(5) 0.3110(5) 0.7578(4) 0.0199(10) Uani 1 1 d . .
O5 O 0.3364(5) 0.5378(5) 1.1272(5) 0.0215(11) Uani 1 1 d . .
H5 H 0.387670 0.628889 1.164798 0.026 Uiso 1 1 calc R U
N1 N 0.7662(6) 0.3994(6) 1.0969(5) 0.0182(12) Uani 1 1 d . .
N2 N 0.8178(6) 0.1860(6) 1.1153(6) 0.0233(13) Uani 1 1 d . .
N3 N 0.4138(6) 0.1888(6) 0.9795(6) 0.0180(12) Uani 1 1 d . .
N4 N 0.2885(6) 0.2120(5) 0.9424(5) 0.0145(11) Uani 1 1 d . .
C1 C 0.8946(7) 0.4004(7) 1.1352(7) 0.0211(15) Uani 1 1 d . .
H1 H 0.970536 0.474887 1.156204 0.025 Uiso 1 1 calc R U
C2 C 0.9194(8) 0.2925(8) 1.1449(7) 0.0258(16) Uani 1 1 d . .
H2 H 1.012580 0.296163 1.173892 0.031 Uiso 1 1 calc R U
C3 C 0.6899(8) 0.1854(7) 1.0746(7) 0.0203(15) Uani 1 1 d . .
H3 H 0.614679 0.110094 1.053111 0.024 Uiso 1 1 calc R U
C4 C 0.6601(7) 0.2892(7) 1.0619(6) 0.0182(14) Uani 1 1 d . .
C5 C 0.5200(7) 0.2932(6) 1.0171(6) 0.0153(13) Uani 1 1 d . .
C6 C 0.1823(7) 0.1183(7) 0.9249(6) 0.0177(14) Uani 1 1 d . .
H6 H 0.198918 0.047840 0.937739 0.021 Uiso 1 1 calc R U
C7 C 0.0393(7) 0.1150(7) 0.8869(7) 0.0182(14) Uani 1 1 d . .
C8 C 0.0035(7) 0.2246(7) 0.8891(6) 0.0168(14) Uani 1 1 d . .
C9 C -0.1396(7) 0.2037(8) 0.8490(7) 0.0235(16) Uani 1 1 d . .
H9 H -0.168786 0.273870 0.847030 0.028 Uiso 1 1 calc R U
C10 C -0.2374(7) 0.0878(8) 0.8131(7) 0.0227(16) Uani 1 1 d . .
H10 H -0.332411 0.080178 0.787405 0.027 Uiso 1 1 calc R U
C11 C -0.2045(7) -0.0215(7) 0.8121(7) 0.0208(15) Uani 1 1 d . .
C12 C -0.0644(7) -0.0031(7) 0.8509(6) 0.0177(14) Uani 1 1 d . .
H12 H -0.037079 -0.073937 0.853318 0.021 Uiso 1 1 calc R U
C13 C -0.3136(8) -0.1494(8) 0.7726(8) 0.0321(19) Uani 1 1 d . .
H13A H -0.268847 -0.209310 0.787281 0.048 Uiso 1 1 calc R U
H13B H -0.368959 -0.188319 0.684260 0.048 Uiso 1 1 calc R U
H13C H -0.374088 -0.134143 0.820577 0.048 Uiso 1 1 calc R U
C14 C -0.2892(9) 0.1543(10) 0.4201(8) 0.040(2) Uani 1 1 d . .
H14 H -0.381681 0.154503 0.400599 0.048 Uiso 1 1 calc R U
C15 C -0.2426(8) 0.0833(9) 0.3355(8) 0.0336(19) Uani 1 1 d . .
H15 H -0.297717 0.029369 0.250105 0.040 Uiso 1 1 calc R U
C16 C -0.1008(8) 0.0987(8) 0.3892(7) 0.0285(17) Uani 1 1 d . .
H16 H -0.051020 0.054602 0.344123 0.034 Uiso 1 1 calc R U
C17 C -0.0447(8) 0.1851(7) 0.5140(7) 0.0226(15) Uani 1 1 d . .
C18 C 0.0972(7) 0.2340(7) 0.6057(6) 0.0198(15) Uani 1 1 d . .
C19 C 0.1961(8) 0.1803(7) 0.5660(7) 0.0255(16) Uani 1 1 d . .
H19 H 0.167267 0.111741 0.483924 0.031 Uiso 1 1 calc R U
C20 C 0.3294(7) 0.2245(6) 0.6420(6) 0.0169(14) Uani 1 1 d . .
C21 C 0.4327(8) 0.1772(8) 0.5858(7) 0.0297(18) Uani 1 1 d . .
C22 C 0.2881(9) 0.4875(9) 1.2017(7) 0.038(2) Uani 1 1 d . .
H22A H 0.197400 0.417630 1.151083 0.056 Uiso 1 1 calc R U
H22B H 0.279273 0.558172 1.270352 0.056 Uiso 1 1 calc R U
H22C H 0.354465 0.452094 1.234811 0.056 Uiso 1 1 calc R U
Cl1 Cl 0.3811(5) 0.5647(5) 0.6521(5) 0.1100(15) Uani 1 1 d . .
Cl2 Cl 0.1343(7) 0.4220(5) 0.4343(4) 0.140(2) Uani 1 1 d . .
C23 C 0.1997(18) 0.5322(15) 0.5914(14) 0.085(4) Uani 1 1 d . .
H23A H 0.152684 0.494803 0.635212 0.102 Uiso 1 1 calc R U
H23B H 0.182304 0.614792 0.603728 0.102 Uiso 1 1 calc R U
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'
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'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 '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
O2 Dy1 O1 141.94(17) . 2_667
O2 Dy1 O4 132.31(18) . .
O1 Dy1 O4 83.69(17) 2_667 .
O2 Dy1 O3 73.33(19) . .
O1 Dy1 O3 118.55(17) 2_667 .
O4 Dy1 O3 70.48(17) . .
O2 Dy1 O1 128.07(18) . .
O1 Dy1 O1 65.54(18) 2_667 .
O4 Dy1 O1 74.31(17) . .
O3 Dy1 O1 143.53(17) . .
O2 Dy1 O5 75.74(18) . .
O1 Dy1 O5 74.65(17) 2_667 .
O4 Dy1 O5 148.34(17) . .
O3 Dy1 O5 140.50(17) . .
O1 Dy1 O5 75.78(17) . .
O2 Dy1 N4 74.09(18) . .
O1 Dy1 N4 129.45(16) 2_667 .
O4 Dy1 N4 85.16(18) . .
O3 Dy1 N4 103.40(19) . .
O1 Dy1 N4 63.96(16) . .
O5 Dy1 N4 90.97(18) . .
O2 Dy1 N1 87.10(18) . 2_667
O1 Dy1 N1 64.59(17) 2_667 2_667
O4 Dy1 N1 111.52(18) . 2_667
O3 Dy1 N1 74.69(19) . 2_667
O1 Dy1 N1 128.55(17) . 2_667
O5 Dy1 N1 79.83(18) . 2_667
N4 Dy1 N1 160.7(2) . 2_667
O2 Dy1 Dy1 146.56(14) . 2_667
O1 Dy1 Dy1 32.89(11) 2_667 2_667
O4 Dy1 Dy1 76.91(12) . 2_667
O3 Dy1 Dy1 139.73(13) . 2_667
O1 Dy1 Dy1 32.65(11) . 2_667
O5 Dy1 Dy1 72.34(12) . 2_667
N4 Dy1 Dy1 96.59(13) . 2_667
N1 Dy1 Dy1 96.75(14) 2_667 2_667
C14 S1 C17 91.4(4) . .
C5 O1 Dy1 126.0(4) . 2_667
C5 O1 Dy1 118.5(4) . .
Dy1 O1 Dy1 114.46(17) 2_667 .
C8 O2 Dy1 133.7(4) . .
C18 O3 Dy1 137.9(5) . .
C20 O4 Dy1 132.4(4) . .
C22 O5 Dy1 124.0(5) . .
C22 O5 H5 118.0 . .
Dy1 O5 H5 118.0 . .
C1 N1 C4 118.3(6) . .
C1 N1 Dy1 124.2(5) . 2_667
C4 N1 Dy1 117.5(4) . 2_667
C2 N2 C3 116.5(6) . .
C5 N3 N4 110.1(5) . .
C6 N4 N3 111.2(5) . .
C6 N4 Dy1 129.6(5) . .
N3 N4 Dy1 119.1(4) . .
N1 C1 C2 120.4(7) . .
N1 C1 H1 119.8 . .
C2 C1 H1 119.8 . .
N2 C2 C1 122.3(7) . .
N2 C2 H2 118.9 . .
C1 C2 H2 118.9 . .
N2 C3 C4 123.3(7) . .
N2 C3 H3 118.3 . .
C4 C3 H3 118.3 . .
N1 C4 C3 119.1(6) . .
N1 C4 C5 115.6(6) . .
C3 C4 C5 125.3(6) . .
N3 C5 O1 125.5(6) . .
N3 C5 C4 118.3(6) . .
O1 C5 C4 116.3(6) . .
N4 C6 C7 124.0(6) . .
N4 C6 H6 118.0 . .
C7 C6 H6 118.0 . .
C12 C7 C8 120.3(6) . .
C12 C7 C6 116.4(6) . .
C8 C7 C6 123.3(6) . .
O2 C8 C9 120.4(6) . .
O2 C8 C7 123.9(6) . .
C9 C8 C7 115.6(6) . .
C10 C9 C8 122.7(7) . .
C10 C9 H9 118.7 . .
C8 C9 H9 118.7 . .
C9 C10 C11 122.8(7) . .
C9 C10 H10 118.6 . .
C11 C10 H10 118.6 . .
C12 C11 C10 115.4(6) . .
C12 C11 C13 122.1(7) . .
C10 C11 C13 122.4(7) . .
C11 C12 C7 123.2(7) . .
C11 C12 H12 118.4 . .
C7 C12 H12 118.4 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C15 C14 S1 113.4(7) . .
C15 C14 H14 123.3 . .
S1 C14 H14 123.3 . .
C14 C15 C16 112.1(8) . .
C14 C15 H15 123.9 . .
C16 C15 H15 123.9 . .
C17 C16 C15 112.0(7) . .
C17 C16 H16 124.0 . .
C15 C16 H16 124.0 . .
C16 C17 C18 131.1(7) . .
C16 C17 S1 111.2(6) . .
C18 C17 S1 117.7(5) . .
O3 C18 C19 123.6(7) . .
O3 C18 C17 118.4(7) . .
C19 C18 C17 118.0(6) . .
C20 C19 C18 121.7(7) . .
C20 C19 H19 119.2 . .
C18 C19 H19 119.2 . .
O4 C20 C19 129.0(7) . .
O4 C20 C21 113.0(6) . .
C19 C20 C21 117.9(6) . .
F2 C21 F1 106.9(7) . .
F2 C21 F3 107.1(7) . .
F1 C21 F3 105.9(7) . .
F2 C21 C20 111.4(7) . .
F1 C21 C20 114.0(6) . .
F3 C21 C20 111.1(6) . .
O5 C22 H22A 109.5 . .
O5 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
O5 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
Cl2 C23 Cl1 109.1(9) . .
Cl2 C23 H23A 109.9 . .
Cl1 C23 H23A 109.9 . .
Cl2 C23 H23B 109.9 . .
Cl1 C23 H23B 109.9 . .
H23A C23 H23B 108.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O2 2.196(5) .
Dy1 O1 2.366(5) 2_667
Dy1 O4 2.372(5) .
Dy1 O3 2.375(5) .
Dy1 O1 2.382(4) .
Dy1 O5 2.414(5) .
Dy1 N4 2.455(6) .
Dy1 N1 2.556(6) 2_667
Dy1 Dy1 3.992(2) 2_667
S1 C14 1.698(9) .
S1 C17 1.726(8) .
F1 C21 1.339(9) .
F2 C21 1.323(11) .
F3 C21 1.346(10) .
O1 C5 1.308(8) .
O2 C8 1.309(8) .
O3 C18 1.229(9) .
O4 C20 1.296(8) .
O5 C22 1.428(9) .
O5 H5 0.9500 .
N1 C1 1.322(9) .
N1 C4 1.356(9) .
N2 C2 1.318(10) .
N2 C3 1.323(10) .
N3 C5 1.303(9) .
N3 N4 1.415(8) .
N4 C6 1.302(9) .
C1 C2 1.398(11) .
C1 H1 0.9500 .
C2 H2 0.9500 .
C3 C4 1.386(10) .
C3 H3 0.9500 .
C4 C5 1.470(10) .
C6 C7 1.458(9) .
C6 H6 0.9500 .
C7 C12 1.402(10) .
C7 C8 1.416(10) .
C8 C9 1.407(10) .
C9 C10 1.354(11) .
C9 H9 0.9500 .
C10 C11 1.403(11) .
C10 H10 0.9500 .
C11 C12 1.382(10) .
C11 C13 1.500(10) .
C12 H12 0.9500 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C15 1.346(12) .
C14 H14 0.9500 .
C15 C16 1.426(11) .
C15 H15 0.9500 .
C16 C17 1.377(11) .
C16 H16 0.9500 .
C17 C18 1.477(10) .
C18 C19 1.428(11) .
C19 C20 1.347(11) .
C19 H19 0.9500 .
C20 C21 1.529(10) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
Cl1 C23 1.777(17) .
Cl2 C23 1.737(16) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C23 H23A O3 0.99 2.61 3.476(16) 145.7 . yes
C22 H22C Cl1 0.98 2.90 3.832(11) 159.2 2_667 yes
C22 H22B F2 0.98 2.51 3.093(10) 118.2 2_667 yes
C22 H22A O2 0.98 2.45 3.075(10) 121.4 . yes
C6 H6 N2 0.95 2.53 3.426(9) 157.7 2_657 yes
C2 H2 Cl2 0.95 2.82 3.303(9) 112.8 1_656 yes
O5 H5 O4 0.95 2.17 2.739(7) 117.2 2_667 yes
O5 H5 F3 0.95 2.37 3.232(8) 150.4 2_667 yes
C23 H23A O3 0.99 2.61 3.476(16) 145.7 . yes
C22 H22C Cl1 0.98 2.90 3.832(11) 159.2 2_667 yes
C22 H22B F2 0.98 2.51 3.093(10) 118.2 2_667 yes
C22 H22A O2 0.98 2.45 3.075(10) 121.4 . yes
C6 H6 N2 0.95 2.53 3.426(9) 157.7 2_657 yes
C2 H2 Cl2 0.95 2.82 3.303(9) 112.8 1_656 yes
O5 H5 O4 0.95 2.17 2.739(7) 117.2 2_667 yes
O5 H5 F3 0.95 2.37 3.232(8) 150.4 2_667 yes
C23 H23A O3 0.99 2.61 3.476(16) 145.7 . yes
C22 H22C Cl1 0.98 2.90 3.832(11) 159.2 2_667 yes
C22 H22B F2 0.98 2.51 3.093(10) 118.2 2_667 yes
C22 H22A O2 0.98 2.45 3.075(10) 121.4 . yes
C6 H6 N2 0.95 2.53 3.426(9) 157.7 2_657 yes
C2 H2 Cl2 0.95 2.82 3.303(9) 112.8 1_656 yes
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
C5 N3 N4 C6 -169.0(6) .
C5 N3 N4 Dy1 13.6(7) .
C4 N1 C1 C2 -3.2(10) .
Dy1 N1 C1 C2 175.5(5) 2_667
C3 N2 C2 C1 0.5(11) .
N1 C1 C2 N2 1.0(12) .
C2 N2 C3 C4 0.4(11) .
C1 N1 C4 C3 3.9(10) .
Dy1 N1 C4 C3 -174.8(5) 2_667
C1 N1 C4 C5 -178.4(6) .
Dy1 N1 C4 C5 2.8(8) 2_667
N2 C3 C4 N1 -2.6(11) .
N2 C3 C4 C5 180.0(7) .
N4 N3 C5 O1 -0.7(9) .
N4 N3 C5 C4 178.9(6) .
Dy1 O1 C5 N3 179.5(5) 2_667
Dy1 O1 C5 N3 -12.9(9) .
Dy1 O1 C5 C4 0.0(8) 2_667
Dy1 O1 C5 C4 167.5(4) .
N1 C4 C5 N3 178.5(6) .
C3 C4 C5 N3 -4.0(11) .
N1 C4 C5 O1 -1.9(9) .
C3 C4 C5 O1 175.5(6) .
N3 N4 C6 C7 179.7(6) .
Dy1 N4 C6 C7 -3.3(10) .
N4 C6 C7 C12 168.9(7) .
N4 C6 C7 C8 -13.2(11) .
Dy1 O2 C8 C9 -143.6(6) .
Dy1 O2 C8 C7 38.0(10) .
C12 C7 C8 O2 176.1(7) .
C6 C7 C8 O2 -1.6(11) .
C12 C7 C8 C9 -2.4(10) .
C6 C7 C8 C9 179.9(7) .
O2 C8 C9 C10 -177.1(7) .
C7 C8 C9 C10 1.4(11) .
C8 C9 C10 C11 -0.4(12) .
C9 C10 C11 C12 0.2(11) .
C9 C10 C11 C13 179.8(8) .
C10 C11 C12 C7 -1.2(11) .
C13 C11 C12 C7 179.2(7) .
C8 C7 C12 C11 2.4(11) .
C6 C7 C12 C11 -179.8(7) .
C17 S1 C14 C15 -0.1(8) .
S1 C14 C15 C16 1.0(11) .
C14 C15 C16 C17 -1.6(12) .
C15 C16 C17 C18 -177.7(8) .
C15 C16 C17 S1 1.4(9) .
C14 S1 C17 C16 -0.8(7) .
C14 S1 C17 C18 178.5(7) .
Dy1 O3 C18 C19 -17.4(12) .
Dy1 O3 C18 C17 162.3(5) .
C16 C17 C18 O3 175.6(8) .
S1 C17 C18 O3 -3.5(9) .
C16 C17 C18 C19 -4.7(12) .
S1 C17 C18 C19 176.2(6) .
O3 C18 C19 C20 -3.8(12) .
C17 C18 C19 C20 176.5(7) .
Dy1 O4 C20 C19 15.0(11) .
Dy1 O4 C20 C21 -170.2(5) .
C18 C19 C20 O4 4.2(12) .
C18 C19 C20 C21 -170.3(7) .
O4 C20 C21 F2 -77.5(8) .
C19 C20 C21 F2 97.9(8) .
O4 C20 C21 F1 161.5(6) .
C19 C20 C21 F1 -23.2(11) .
O4 C20 C21 F3 41.8(9) .
C19 C20 C21 F3 -142.8(7) .
