#------------------------------------------------------------------------------
#$Date: 2021-01-07 07:19:44 +0100 (jue 07 de ene de 2021) $
#$Revision: 260755 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/58/7705806.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_7705806
loop_
_publ_author_name
'Gil, Yolimar'
'Fuentealba, Pablo'
'Vega, Andrés'
'Spodine, Evgenia'
'Aravena, Daniel'
_publ_section_title
;
 Control of magnetic anisotropy by macrocyclic ligand distortion in a
 family of DyIII and ErIII single molecule magnets.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17709
_journal_page_last               17718
_journal_paper_doi               10.1039/d0dt03370g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C20 H22 N6 Dy (N C S)3'
_chemical_formula_sum            'C23 H22 Dy N9 S3'
_chemical_formula_weight         683.17
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   fourier
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-18 deposited with the CCDC.	2020-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                97.249(2)
_cell_angle_beta                 105.438(2)
_cell_angle_gamma                97.531(2)
_cell_formula_units_Z            2
_cell_length_a                   8.4497(15)
_cell_length_b                   12.612(2)
_cell_length_c                   13.166(2)
_cell_measurement_reflns_used    2450
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      18.52
_cell_measurement_theta_min      2.51
_cell_volume                     1321.6(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_av_unetI/netI     0.0772
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10386
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.508
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    3.095
_exptl_absorpt_correction_T_max  0.2497
_exptl_absorpt_correction_T_min  0.1843
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS, Bruker'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.717
_exptl_crystal_description       block
_exptl_crystal_F_000             674
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.123
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.645
_refine_diff_density_min         -0.808
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         5196
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0406
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0286P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0837
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4180
_reflns_number_total             5196
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03370g2.cif
_cod_data_source_block           SCD18_123_P1
_cod_depositor_comments
'Adding full bibliography for 7705804--7705809.cif.'
_cod_database_code               7705806
_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   0.512
_shelx_estimated_absorpt_t_max   0.727
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.16923(3) 0.23386(2) 0.25200(2) 0.03073(9) Uani 1 1 d . . . . .
N1 N 0.1689(6) 0.4295(4) 0.2112(4) 0.0382(11) Uani 1 1 d . . . . .
N2 N 0.4535(5) 0.3611(4) 0.3008(4) 0.0396(11) Uani 1 1 d . . . . .
N3 N 0.3570(6) 0.2351(4) 0.4453(4) 0.0394(11) Uani 1 1 d . . . . .
N4 N 0.1155(6) 0.0665(4) 0.3399(4) 0.0393(12) Uani 1 1 d . . . . .
N5 N -0.0513(6) 0.0744(4) 0.1401(4) 0.0427(12) Uani 1 1 d . . . . .
N6 N -0.1169(5) 0.2894(4) 0.1645(4) 0.0414(12) Uani 1 1 d . . . . .
C1 C 0.0268(7) 0.4643(5) 0.1671(5) 0.0424(14) Uani 1 1 d . . . . .
C2 C 0.0267(9) 0.5659(6) 0.1376(5) 0.0608(19) Uani 1 1 d . . . . .
H2 H -0.0735 0.5889 0.1092 0.073 Uiso 1 1 calc R U . . .
C3 C 0.1748(11) 0.6321(6) 0.1504(6) 0.072(2) Uani 1 1 d . . . . .
H3 H 0.1764 0.7003 0.1305 0.086 Uiso 1 1 calc R U . . .
C4 C 0.3189(9) 0.5972(5) 0.1926(5) 0.0574(18) Uani 1 1 d . . . . .
H4 H 0.4205 0.6413 0.2016 0.069 Uiso 1 1 calc R U . . .
C5 C 0.3153(8) 0.4950(5) 0.2225(4) 0.0415(14) Uani 1 1 d . . . . .
C6 C 0.4631(7) 0.4525(5) 0.2715(5) 0.0455(15) Uani 1 1 d . . . . .
H6 H 0.5675 0.4936 0.2816 0.055 Uiso 1 1 calc R U . . .
C7 C 0.6062(7) 0.3271(5) 0.3582(5) 0.0535(17) Uani 1 1 d . . . . .
H7A H 0.7002 0.3655 0.3408 0.064 Uiso 1 1 calc R U . . .
H7B H 0.5995 0.2501 0.3353 0.064 Uiso 1 1 calc R U . . .
C8 C 0.6337(7) 0.3495(5) 0.4766(5) 0.0546(18) Uani 1 1 d . . . . .
H8A H 0.6897 0.4239 0.5040 0.066 Uiso 1 1 calc R U . . .
H8B H 0.7062 0.3023 0.5099 0.066 Uiso 1 1 calc R U . . .
C9 C 0.4709(7) 0.3321(5) 0.5076(5) 0.0481(16) Uani 1 1 d . . . . .
H9A H 0.4964 0.3264 0.5828 0.058 Uiso 1 1 calc R U . . .
H9B H 0.4166 0.3947 0.4972 0.058 Uiso 1 1 calc R U . . .
C10 C 0.3302(8) 0.1564(5) 0.4942(5) 0.0463(15) Uani 1 1 d . . . . .
H10 H 0.3869 0.1610 0.5660 0.056 Uiso 1 1 calc R U . . .
C11 C 0.2105(8) 0.0596(5) 0.4372(5) 0.0468(15) Uani 1 1 d . . . . .
C12 C 0.2004(9) -0.0330(6) 0.4824(6) 0.066(2) Uani 1 1 d . . . . .
H12 H 0.2670 -0.0342 0.5509 0.079 Uiso 1 1 calc R U . . .
C13 C 0.0895(9) -0.1237(6) 0.4239(7) 0.076(2) Uani 1 1 d . . . . .
H13 H 0.0798 -0.1872 0.4523 0.092 Uiso 1 1 calc R U . . .
C14 C -0.0070(9) -0.1192(5) 0.3228(6) 0.064(2) Uani 1 1 d . . . . .
H14 H -0.0832 -0.1795 0.2823 0.077 Uiso 1 1 calc R U . . .
C15 C 0.0109(7) -0.0241(5) 0.2824(5) 0.0436(15) Uani 1 1 d . . . . .
C16 C -0.0817(8) -0.0129(5) 0.1743(5) 0.0503(17) Uani 1 1 d . . . . .
H16 H -0.1624 -0.0697 0.1312 0.060 Uiso 1 1 calc R U . . .
C17 C -0.1589(8) 0.0837(6) 0.0340(5) 0.0575(18) Uani 1 1 d . . . . .
H17A H -0.1946 0.0128 -0.0108 0.069 Uiso 1 1 calc R U . . .
H17B H -0.0971 0.1305 -0.0005 0.069 Uiso 1 1 calc R U . . .
C18 C -0.3101(8) 0.1307(6) 0.0475(5) 0.061(2) Uani 1 1 d . . . . .
H18A H -0.3948 0.0722 0.0504 0.073 Uiso 1 1 calc R U . . .
H18B H -0.3555 0.1630 -0.0146 0.073 Uiso 1 1 calc R U . . .
C19 C -0.2723(7) 0.2160(5) 0.1475(5) 0.0520(17) Uani 1 1 d . . . . .
H19A H -0.3625 0.2574 0.1408 0.062 Uiso 1 1 calc R U . . .
H19B H -0.2659 0.1802 0.2091 0.062 Uiso 1 1 calc R U . . .
C20 C -0.1243(8) 0.3861(5) 0.1489(5) 0.0466(15) Uani 1 1 d . . . . .
H20 H -0.2276 0.4070 0.1255 0.056 Uiso 1 1 calc R U . . .
N7 N 0.3501(6) 0.1059(4) 0.2277(4) 0.0478(13) Uani 1 1 d . . . . .
N8 N 0.1993(6) 0.2432(4) 0.0757(4) 0.0506(14) Uani 1 1 d . . . . .
N9 N 0.0615(6) 0.3160(4) 0.3888(4) 0.0437(12) Uani 1 1 d . . . . .
C21 C 0.4182(7) 0.0323(5) 0.2324(4) 0.0421(14) Uani 1 1 d . . . . .
C22 C 0.2722(7) 0.2790(5) 0.0228(5) 0.0433(15) Uani 1 1 d . . . . .
C23 C 0.0747(6) 0.3540(4) 0.4770(5) 0.0358(13) Uani 1 1 d . . . . .
S1 S 0.5166(3) -0.07015(18) 0.23768(16) 0.0836(7) Uani 1 1 d . . . . .
S2 S 0.3759(3) 0.3313(2) -0.0509(2) 0.1048(9) Uani 1 1 d . . . . .
S3 S 0.0950(2) 0.40089(14) 0.60092(13) 0.0517(4) Uani 1 1 d . . . . .
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'
S S 0.1246 0.1234 '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
_geom_angle_publ_flag
N9 Dy1 N7 139.89(17) . . y
N9 Dy1 N8 144.20(17) . . y
N7 Dy1 N8 75.39(18) . . y
N9 Dy1 N5 107.46(16) . . y
N7 Dy1 N5 81.23(16) . . y
N8 Dy1 N5 78.90(16) . . y
N9 Dy1 N4 81.20(15) . . y
N7 Dy1 N4 68.21(16) . . y
N8 Dy1 N4 129.55(16) . . y
N5 Dy1 N4 62.35(15) . . y
N9 Dy1 N2 98.75(16) . . y
N7 Dy1 N2 78.88(16) . . y
N8 Dy1 N2 79.68(16) . . y
N5 Dy1 N2 153.78(15) . . y
N4 Dy1 N2 123.77(15) . . y
N9 Dy1 N1 78.31(15) . . y
N7 Dy1 N1 130.98(15) . . y
N8 Dy1 N1 69.23(16) . . y
N5 Dy1 N1 122.11(15) . . y
N4 Dy1 N1 159.36(14) . . y
N2 Dy1 N1 62.54(15) . . y
N9 Dy1 N6 70.16(15) . . y
N7 Dy1 N6 143.27(16) . . y
N8 Dy1 N6 81.25(16) . . y
N5 Dy1 N6 66.60(16) . . y
N4 Dy1 N6 108.56(15) . . y
N2 Dy1 N6 124.38(16) . . y
N1 Dy1 N6 61.84(15) . . y
N9 Dy1 N3 66.96(15) . . y
N7 Dy1 N3 75.90(16) . . y
N8 Dy1 N3 138.79(16) . . y
N5 Dy1 N3 124.60(15) . . y
N4 Dy1 N3 62.36(14) . . y
N2 Dy1 N3 66.23(15) . . y
N1 Dy1 N3 110.84(14) . . y
N6 Dy1 N3 137.02(14) . . y
C1 N1 C5 118.2(5) . . ?
C1 N1 Dy1 121.6(4) . . ?
C5 N1 Dy1 119.7(4) . . ?
C6 N2 C7 118.8(5) . . ?
C6 N2 Dy1 120.1(4) . . ?
C7 N2 Dy1 121.0(4) . . ?
C10 N3 C9 117.4(5) . . ?
C10 N3 Dy1 120.0(4) . . ?
C9 N3 Dy1 121.5(4) . . ?
C11 N4 C15 117.4(5) . . ?
C11 N4 Dy1 121.0(4) . . ?
C15 N4 Dy1 120.6(4) . . ?
C16 N5 C17 116.8(5) . . ?
C16 N5 Dy1 122.4(4) . . ?
C17 N5 Dy1 120.7(4) . . ?
C20 N6 C19 118.0(5) . . ?
C20 N6 Dy1 120.4(4) . . ?
C19 N6 Dy1 121.0(4) . . ?
N1 C1 C2 121.8(6) . . ?
N1 C1 C20 115.0(5) . . ?
C2 C1 C20 123.1(6) . . ?
C3 C2 C1 119.6(7) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C4 C3 C2 119.1(6) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C5 120.0(6) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
N1 C5 C4 121.1(6) . . ?
N1 C5 C6 115.1(5) . . ?
C4 C5 C6 123.8(6) . . ?
N2 C6 C5 121.5(5) . . ?
N2 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
N2 C7 C8 111.4(5) . . ?
N2 C7 H7A 109.4 . . ?
C8 C7 H7A 109.4 . . ?
N2 C7 H7B 109.4 . . ?
C8 C7 H7B 109.4 . . ?
H7A C7 H7B 108.0 . . ?
C7 C8 C9 112.7(5) . . ?
C7 C8 H8A 109.1 . . ?
C9 C8 H8A 109.1 . . ?
C7 C8 H8B 109.1 . . ?
C9 C8 H8B 109.1 . . ?
H8A C8 H8B 107.8 . . ?
N3 C9 C8 112.5(5) . . ?
N3 C9 H9A 109.1 . . ?
C8 C9 H9A 109.1 . . ?
N3 C9 H9B 109.1 . . ?
C8 C9 H9B 109.1 . . ?
H9A C9 H9B 107.8 . . ?
N3 C10 C11 119.8(5) . . ?
N3 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
N4 C11 C12 123.3(6) . . ?
N4 C11 C10 116.1(5) . . ?
C12 C11 C10 120.6(6) . . ?
C13 C12 C11 118.4(7) . . ?
C13 C12 H12 120.8 . . ?
C11 C12 H12 120.8 . . ?
C12 C13 C14 119.2(7) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
C13 C14 C15 119.1(6) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
N4 C15 C14 122.4(6) . . ?
N4 C15 C16 114.5(5) . . ?
C14 C15 C16 123.0(6) . . ?
N5 C16 C15 119.7(5) . . ?
N5 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
N5 C17 C18 109.3(5) . . ?
N5 C17 H17A 109.8 . . ?
C18 C17 H17A 109.8 . . ?
N5 C17 H17B 109.8 . . ?
C18 C17 H17B 109.8 . . ?
H17A C17 H17B 108.3 . . ?
C17 C18 C19 113.7(5) . . ?
C17 C18 H18A 108.8 . . ?
C19 C18 H18A 108.8 . . ?
C17 C18 H18B 108.8 . . ?
C19 C18 H18B 108.8 . . ?
H18A C18 H18B 107.7 . . ?
N6 C19 C18 111.9(5) . . ?
N6 C19 H19A 109.2 . . ?
C18 C19 H19A 109.2 . . ?
N6 C19 H19B 109.2 . . ?
C18 C19 H19B 109.2 . . ?
H19A C19 H19B 107.9 . . ?
N6 C20 C1 120.7(5) . . ?
N6 C20 H20 119.6 . . ?
C1 C20 H20 119.6 . . ?
C21 N7 Dy1 163.1(5) . . ?
C22 N8 Dy1 149.3(5) . . ?
C23 N9 Dy1 152.5(4) . . ?
N7 C21 S1 178.8(6) . . ?
N8 C22 S2 179.2(6) . . ?
N9 C23 S3 177.1(5) . . ?
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 N9 2.408(5) . y
Dy1 N7 2.412(5) . y
Dy1 N8 2.417(5) . y
Dy1 N5 2.549(4) . y
Dy1 N4 2.578(4) . y
Dy1 N2 2.582(4) . y
Dy1 N1 2.591(4) . y
Dy1 N6 2.613(5) . y
Dy1 N3 2.613(5) . y
N1 C1 1.342(7) . ?
N1 C5 1.355(7) . ?
N2 C6 1.260(7) . ?
N2 C7 1.458(7) . ?
N3 C10 1.277(7) . ?
N3 C9 1.453(7) . ?
N4 C11 1.338(7) . ?
N4 C15 1.349(7) . ?
N5 C16 1.261(7) . ?
N5 C17 1.479(7) . ?
N6 C20 1.269(7) . ?
N6 C19 1.450(7) . ?
C1 C2 1.385(8) . ?
C1 C20 1.452(8) . ?
C2 C3 1.367(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.351(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.393(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.448(8) . ?
C6 H6 0.9300 . ?
C7 C8 1.498(9) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.533(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.455(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.380(8) . ?
C12 C13 1.375(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.376(10) . ?
C13 H13 0.9300 . ?
C14 C15 1.378(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.465(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.519(9) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.524(8) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20 0.9300 . ?
N7 C21 1.155(7) . ?
N8 C22 1.142(7) . ?
N9 C23 1.169(7) . ?
C21 S1 1.624(7) . ?
C22 S2 1.614(6) . ?
C23 S3 1.619(6) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C18 H18B S1 0.97 2.90 3.629(7) 132.3 2
C17 H17B N8 0.97 2.58 3.279(8) 128.8 .
C12 H12 S1 0.93 2.93 3.778(8) 153.1 2_656
C10 H10 S1 0.93 2.92 3.772(6) 152.9 2_656
C7 H7B N7 0.97 2.55 3.263(8) 130.2 .
C6 H6 S3 0.93 2.90 3.775(6) 156.4 2_666
C4 H4 S2 0.93 2.98 3.650(7) 130.7 2_665
C2 H2 S2 0.93 2.82 3.745(8) 172.5 2_565
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
C5 N1 C1 C2 -2.8(8) . . . . ?
Dy1 N1 C1 C2 -175.0(4) . . . . ?
C5 N1 C1 C20 174.8(5) . . . . ?
Dy1 N1 C1 C20 2.6(7) . . . . ?
N1 C1 C2 C3 2.0(10) . . . . ?
C20 C1 C2 C3 -175.4(6) . . . . ?
C1 C2 C3 C4 -0.5(11) . . . . ?
C2 C3 C4 C5 -0.1(11) . . . . ?
C1 N1 C5 C4 2.1(8) . . . . ?
Dy1 N1 C5 C4 174.5(4) . . . . ?
C1 N1 C5 C6 179.5(5) . . . . ?
Dy1 N1 C5 C6 -8.1(6) . . . . ?
C3 C4 C5 N1 -0.7(10) . . . . ?
C3 C4 C5 C6 -177.8(6) . . . . ?
C7 N2 C6 C5 -174.6(5) . . . . ?
Dy1 N2 C6 C5 8.1(7) . . . . ?
N1 C5 C6 N2 0.0(8) . . . . ?
C4 C5 C6 N2 177.4(6) . . . . ?
C6 N2 C7 C8 97.0(6) . . . . ?
Dy1 N2 C7 C8 -85.8(5) . . . . ?
N2 C7 C8 C9 36.2(7) . . . . ?
C10 N3 C9 C8 111.6(6) . . . . ?
Dy1 N3 C9 C8 -80.3(6) . . . . ?
C7 C8 C9 N3 42.1(7) . . . . ?
C9 N3 C10 C11 176.7(5) . . . . ?
Dy1 N3 C10 C11 8.4(8) . . . . ?
C15 N4 C11 C12 -3.3(9) . . . . ?
Dy1 N4 C11 C12 -171.9(5) . . . . ?
C15 N4 C11 C10 175.9(5) . . . . ?
Dy1 N4 C11 C10 7.2(7) . . . . ?
N3 C10 C11 N4 -10.4(9) . . . . ?
N3 C10 C11 C12 168.8(6) . . . . ?
N4 C11 C12 C13 1.4(11) . . . . ?
C10 C11 C12 C13 -177.7(6) . . . . ?
C11 C12 C13 C14 0.1(12) . . . . ?
C12 C13 C14 C15 0.5(12) . . . . ?
C11 N4 C15 C14 3.9(9) . . . . ?
Dy1 N4 C15 C14 172.5(5) . . . . ?
C11 N4 C15 C16 -176.4(5) . . . . ?
Dy1 N4 C15 C16 -7.7(7) . . . . ?
C13 C14 C15 N4 -2.5(10) . . . . ?
C13 C14 C15 C16 177.7(7) . . . . ?
C17 N5 C16 C15 -175.0(5) . . . . ?
Dy1 N5 C16 C15 0.5(8) . . . . ?
N4 C15 C16 N5 4.8(8) . . . . ?
C14 C15 C16 N5 -175.5(6) . . . . ?
C16 N5 C17 C18 88.8(7) . . . . ?
Dy1 N5 C17 C18 -86.8(5) . . . . ?
N5 C17 C18 C19 36.2(8) . . . . ?
C20 N6 C19 C18 108.6(6) . . . . ?
Dy1 N6 C19 C18 -80.4(6) . . . . ?
C17 C18 C19 N6 42.1(8) . . . . ?
C19 N6 C20 C1 178.5(5) . . . . ?
Dy1 N6 C20 C1 7.5(7) . . . . ?
N1 C1 C20 N6 -6.6(8) . . . . ?
C2 C1 C20 N6 170.9(6) . . . . ?
