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#$Date: 2024-09-06 03:17:00 +0300 (Fri, 06 Sep 2024) $
#$Revision: 294520 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/89/7248954.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_7248954
loop_
_publ_author_name
'Prętka, Dominika'
'Marcinkowski, Dawid'
'Siwiak, Agnieszka'
'Kubicki, Maciej'
'Consiglio, Giuseppe'
'Patroniak, Violetta'
'Gorczyński, Adam'
_publ_section_title
;
 Crystal engineering of monometallic lanthanide(iii) supramolecular
 systems within the N3-tridentate hydrazone Schiff-base ligand
;
_journal_issue                   31
_journal_name_full               CrystEngComm
_journal_page_first              4167
_journal_page_last               4180
_journal_paper_doi               10.1039/D4CE00450G
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C11 H15 Dy N8 O10, C H4 O'
_chemical_formula_sum            'C12 H19 Dy N8 O11'
_chemical_formula_weight         613.85
_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   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-01-10 deposited with the CCDC.	2024-07-03 downloaded from the CCDC.
;
_cell_angle_alpha                97.826(6)
_cell_angle_beta                 96.891(6)
_cell_angle_gamma                100.152(7)
_cell_formula_units_Z            2
_cell_length_a                   8.2029(7)
_cell_length_b                   10.4813(9)
_cell_length_c                   12.4024(7)
_cell_measurement_reflns_used    4715
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      27.9000
_cell_measurement_theta_min      3.3280
_cell_volume                     1028.45(14)
_computing_cell_refinement       'CrysAlis Pro (Agilent Technologies (2011))'
_computing_data_collection       'CrysAlis Pro (Agilent Technologies (2011))'
_computing_data_reduction        'CrysAlis Pro (Agilent Technologies (2011))'
_computing_molecular_graphics    'Mercury (MacRae et al., 2009)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      291(2)
_diffrn_detector_area_resol_mean 16.1544
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.837
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0168
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.837
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7224
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.837
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.138
_diffrn_reflns_theta_min         2.917
_exptl_absorpt_coefficient_mu    3.707
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79442
_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_colour            colourless
_exptl_crystal_density_diffrn    1.982
_exptl_crystal_description       prism
_exptl_crystal_F_000             602
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.598
_refine_diff_density_min         -0.473
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         4207
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0240
_refine_ls_R_factor_gt           0.0214
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0208P)²+0.4657P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0483
_refine_ls_wR_factor_ref         0.0494
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3955
_reflns_number_total             4207
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00450g2.cif
_cod_data_source_block           19
_cod_depositor_comments
'Adding full bibliography for 7248946--7248974.cif.'
_cod_database_code               7248954
_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.
;
_shelxl_version_number           2013-4
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 0.70552(2) 0.23116(2) 0.71160(2) 0.02723(5) Uani 1 1 d . . . . .
N1A N 0.9549(3) 0.3004(2) 0.61923(19) 0.0304(5) Uani 1 1 d . . . . .
C2A C 1.0358(4) 0.4260(3) 0.6348(2) 0.0292(6) Uani 1 1 d . . . . .
C3A C 1.1771(4) 0.4640(3) 0.5859(3) 0.0391(7) Uani 1 1 d . . . . .
H3A H 1.2297 0.5518 0.5962 0.047 Uiso 1 1 calc R U . . .
C4A C 1.2378(4) 0.3705(4) 0.5224(3) 0.0448(8) Uani 1 1 d . . . . .
H4A H 1.3311 0.3945 0.4884 0.054 Uiso 1 1 calc R U . . .
C5A C 1.1592(4) 0.2408(4) 0.5094(3) 0.0461(8) Uani 1 1 d . . . . .
H5A H 1.2001 0.1753 0.4687 0.055 Uiso 1 1 calc R U . . .
C6A C 1.0201(4) 0.2113(3) 0.5576(3) 0.0395(7) Uani 1 1 d . . . . .
H6A H 0.9661 0.1238 0.5476 0.047 Uiso 1 1 calc R U . . .
N7A N 0.9715(3) 0.5170(2) 0.7004(2) 0.0328(6) Uani 1 1 d . . . . .
C7A C 1.0524(4) 0.6558(3) 0.7289(3) 0.0432(8) Uani 1 1 d . . . . .
H7A3 H 1.0012 0.7053 0.6795 0.065 Uiso 1 1 calc R U . . .
H7A2 H 1.1693 0.6650 0.7228 0.065 Uiso 1 1 calc R U . . .
H7A1 H 1.0398 0.6881 0.8030 0.065 Uiso 1 1 calc R U . . .
N8A N 0.8215(3) 0.4741(2) 0.73128(19) 0.0274(5) Uani 1 1 d . . . . .
C9A C 0.7388(4) 0.5552(3) 0.7755(2) 0.0324(7) Uani 1 1 d . . . . .
H9A H 0.7789 0.6454 0.7880 0.039 Uiso 1 1 calc R U . . .
C10A C 0.5808(4) 0.4987(3) 0.8046(2) 0.0323(7) Uani 1 1 d . . . . .
N11A N 0.4791(3) 0.5645(3) 0.8586(2) 0.0355(6) Uani 1 1 d . . . . .
C11A C 0.5086(5) 0.7054(3) 0.8985(3) 0.0502(9) Uani 1 1 d . . . . .
H11C H 0.6217 0.7347 0.9351 0.075 Uiso 1 1 calc R U . . .
H11B H 0.4326 0.7230 0.9493 0.075 Uiso 1 1 calc R U . . .
H11A H 0.4908 0.7512 0.8375 0.075 Uiso 1 1 calc R U . . .
C12A C 0.3436(4) 0.4735(3) 0.8697(3) 0.0407(8) Uani 1 1 d . . . . .
H12A H 0.2528 0.4895 0.9040 0.049 Uiso 1 1 calc R U . . .
C13A C 0.3664(4) 0.3561(3) 0.8214(3) 0.0394(7) Uani 1 1 d . . . . .
H13A H 0.2920 0.2769 0.8165 0.047 Uiso 1 1 calc R U . . .
N14A N 0.5150(3) 0.3705(2) 0.7807(2) 0.0339(6) Uani 1 1 d . . . . .
N1B N 0.5965(3) 0.2222(3) 0.4747(2) 0.0417(7) Uani 1 1 d . . . . .
O11B O 0.5529(4) 0.2236(3) 0.3775(2) 0.0705(9) Uani 1 1 d . . . . .
O12B O 0.6404(3) 0.1222(2) 0.50927(18) 0.0439(6) Uani 1 1 d . . . . .
O13B O 0.6018(3) 0.3206(2) 0.54766(18) 0.0398(5) Uani 1 1 d . . . . .
N1C N 0.7692(4) -0.0172(3) 0.7707(3) 0.0531(8) Uani 1 1 d . . . . .
O11C O 0.8122(5) -0.1151(3) 0.7978(3) 0.0903(11) Uani 1 1 d . . . . .
O12C O 0.6875(3) 0.0492(3) 0.8313(2) 0.0538(6) Uani 1 1 d . . . . .
O13C O 0.8019(4) 0.0231(2) 0.6857(2) 0.0575(7) Uani 1 1 d . . . . .
N1D N 0.9260(4) 0.3013(3) 0.9251(2) 0.0491(7) Uani 1 1 d . . . . .
O11D O 1.0214(4) 0.3272(4) 1.0110(2) 0.1005(13) Uani 1 1 d . . . . .
O12D O 0.9713(3) 0.2575(3) 0.83629(19) 0.0506(6) Uani 1 1 d . . . . .
O13D O 0.7776(3) 0.3179(3) 0.9181(2) 0.0533(6) Uani 1 1 d . . . . .
O1E O 0.4346(3) 0.0951(3) 0.6679(3) 0.0473(6) Uani 1 1 d . . . . .
H1E2 H 0.425(5) 0.029(4) 0.617(3) 0.056(12) Uiso 1 1 d . . . . .
H1E1 H 0.386(5) 0.073(4) 0.713(3) 0.053(13) Uiso 1 1 d . . . . .
C1F C 0.2286(8) -0.0052(5) 0.9020(4) 0.106(2) Uani 1 1 d . . . . .
H1F3 H 0.3464 0.0020 0.9245 0.159 Uiso 1 1 calc R U . . .
H1F2 H 0.1699 -0.0898 0.9111 0.159 Uiso 1 1 calc R U . . .
H1F1 H 0.1892 0.0622 0.9463 0.159 Uiso 1 1 calc R U . . .
O1F O 0.1999(5) 0.0096(5) 0.7917(3) 0.1081(13) Uani 1 1 d . . . . .
H1F H 0.0998 0.0065 0.7732 0.162 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'
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'
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
O1E Dy1 O13C 83.92(10) . . ?
O1E Dy1 O12D 140.86(10) . . ?
O13C Dy1 O12D 72.29(10) . . ?
O1E Dy1 N14A 75.14(9) . . ?
O13C Dy1 N14A 152.01(9) . . ?
O12D Dy1 N14A 113.59(8) . . ?
O1E Dy1 O13B 81.33(9) . . ?
O13C Dy1 O13B 118.95(8) . . ?
O12D Dy1 O13B 137.37(8) . . ?
N14A Dy1 O13B 76.43(8) . . ?
O1E Dy1 N1A 139.05(9) . . ?
O13C Dy1 N1A 80.91(8) . . ?
O12D Dy1 N1A 67.96(8) . . ?
N14A Dy1 N1A 127.03(8) . . ?
O13B Dy1 N1A 73.43(8) . . ?
O1E Dy1 N8A 135.51(9) . . ?
O13C Dy1 N8A 139.29(9) . . ?
O12D Dy1 N8A 77.52(8) . . ?
N14A Dy1 N8A 66.35(8) . . ?
O13B Dy1 N8A 69.00(7) . . ?
N1A Dy1 N8A 62.54(8) . . ?
O1E Dy1 O13D 111.31(10) . . ?
O13C Dy1 O13D 105.39(9) . . ?
O12D Dy1 O13D 50.02(8) . . ?
N14A Dy1 O13D 66.67(8) . . ?
O13B Dy1 O13D 135.14(8) . . ?
N1A Dy1 O13D 109.35(8) . . ?
N8A Dy1 O13D 73.28(8) . . ?
O1E Dy1 O12B 67.61(9) . . ?
O13C Dy1 O12B 68.92(9) . . ?
O12D Dy1 O12B 127.01(8) . . ?
N14A Dy1 O12B 117.74(8) . . ?
O13B Dy1 O12B 50.67(7) . . ?
N1A Dy1 O12B 71.44(8) . . ?
N8A Dy1 O12B 111.66(7) . . ?
O13D Dy1 O12B 174.19(8) . . ?
O1E Dy1 O12C 70.94(9) . . ?
O13C Dy1 O12C 50.52(8) . . ?
O12D Dy1 O12C 69.94(8) . . ?
N14A Dy1 O12C 104.13(9) . . ?
O13B Dy1 O12C 150.83(8) . . ?
N1A Dy1 O12C 123.04(8) . . ?
N8A Dy1 O12C 138.68(8) . . ?
O13D Dy1 O12C 66.45(8) . . ?
O12B Dy1 O12C 108.13(8) . . ?
O1E Dy1 N1C 77.96(9) . . ?
O13C Dy1 N1C 24.55(9) . . ?
O12D Dy1 N1C 67.42(9) . . ?
N14A Dy1 N1C 129.74(10) . . ?
O13B Dy1 N1C 139.26(8) . . ?
N1A Dy1 N1C 100.83(9) . . ?
N8A Dy1 N1C 144.89(8) . . ?
O13D Dy1 N1C 85.31(9) . . ?
O12B Dy1 N1C 88.89(9) . . ?
O12C Dy1 N1C 26.06(9) . . ?
O1E Dy1 N1D 128.62(10) . . ?
O13C Dy1 N1D 88.36(9) . . ?
O12D Dy1 N1D 24.92(8) . . ?
N14A Dy1 N1D 90.38(9) . . ?
O13B Dy1 N1D 143.32(8) . . ?
N1A Dy1 N1D 88.79(8) . . ?
N8A Dy1 N1D 74.34(8) . . ?
O13D Dy1 N1D 25.11(8) . . ?
O12B Dy1 N1D 151.58(9) . . ?
O12C Dy1 N1D 65.35(8) . . ?
N1C Dy1 N1D 74.64(9) . . ?
C2A N1A C6A 117.2(3) . . ?
C2A N1A Dy1 121.53(19) . . ?
C6A N1A Dy1 121.1(2) . . ?
N1A C2A N7A 117.2(3) . . ?
N1A C2A C3A 121.6(3) . . ?
N7A C2A C3A 121.2(3) . . ?
C4A C3A C2A 119.4(3) . . ?
C4A C3A H3A 120.3 . . ?
C2A C3A H3A 120.3 . . ?
C3A C4A C5A 119.4(3) . . ?
C3A C4A H4A 120.3 . . ?
C5A C4A H4A 120.3 . . ?
C6A C5A C4A 118.0(3) . . ?
C6A C5A H5A 121.0 . . ?
C4A C5A H5A 121.0 . . ?
N1A C6A C5A 124.4(3) . . ?
N1A C6A H6A 117.8 . . ?
C5A C6A H6A 117.8 . . ?
N8A N7A C2A 116.7(2) . . ?
N8A N7A C7A 120.3(2) . . ?
C2A N7A C7A 122.8(3) . . ?
N7A C7A H7A3 109.5 . . ?
N7A C7A H7A2 109.5 . . ?
H7A3 C7A H7A2 109.5 . . ?
N7A C7A H7A1 109.5 . . ?
H7A3 C7A H7A1 109.5 . . ?
H7A2 C7A H7A1 109.5 . . ?
C9A N8A N7A 121.0(2) . . ?
C9A N8A Dy1 118.6(2) . . ?
N7A N8A Dy1 120.27(17) . . ?
N8A C9A C10A 116.2(3) . . ?
N8A C9A H9A 121.9 . . ?
C10A C9A H9A 121.9 . . ?
N14A C10A N11A 110.8(3) . . ?
N14A C10A C9A 123.1(3) . . ?
N11A C10A C9A 126.1(3) . . ?
C10A N11A C12A 106.8(3) . . ?
C10A N11A C11A 126.9(3) . . ?
C12A N11A C11A 126.3(3) . . ?
N11A C11A H11C 109.5 . . ?
N11A C11A H11B 109.5 . . ?
H11C C11A H11B 109.5 . . ?
N11A C11A H11A 109.5 . . ?
H11C C11A H11A 109.5 . . ?
H11B C11A H11A 109.5 . . ?
C13A C12A N11A 106.9(3) . . ?
C13A C12A H12A 126.5 . . ?
N11A C12A H12A 126.5 . . ?
C12A C13A N14A 110.0(3) . . ?
C12A C13A H13A 125.0 . . ?
N14A C13A H13A 125.0 . . ?
C10A N14A C13A 105.4(3) . . ?
C10A N14A Dy1 114.9(2) . . ?
C13A N14A Dy1 138.5(2) . . ?
O11B N1B O13B 121.8(3) . . ?
O11B N1B O12B 122.2(3) . . ?
O13B N1B O12B 116.0(3) . . ?
N1B O12B Dy1 94.40(17) . . ?
N1B O13B Dy1 98.96(18) . . ?
O11C N1C O13C 122.5(4) . . ?
O11C N1C O12C 120.5(4) . . ?
O13C N1C O12C 117.0(3) . . ?
O11C N1C Dy1 173.6(3) . . ?
O13C N1C Dy1 55.66(16) . . ?
O12C N1C Dy1 61.68(16) . . ?
N1C O12C Dy1 92.26(19) . . ?
N1C O13C Dy1 99.8(2) . . ?
O11D N1D O13D 122.7(4) . . ?
O11D N1D O12D 121.7(4) . . ?
O13D N1D O12D 115.6(3) . . ?
O11D N1D Dy1 177.2(3) . . ?
O13D N1D Dy1 59.96(16) . . ?
O12D N1D Dy1 55.70(15) . . ?
N1D O12D Dy1 99.39(19) . . ?
N1D O13D Dy1 94.93(19) . . ?
Dy1 O1E H1E2 115(3) . . ?
Dy1 O1E H1E1 121(3) . . ?
H1E2 O1E H1E1 108(4) . . ?
O1F C1F H1F3 109.5 . . ?
O1F C1F H1F2 109.5 . . ?
H1F3 C1F H1F2 109.5 . . ?
O1F C1F H1F1 109.5 . . ?
H1F3 C1F H1F1 109.5 . . ?
H1F2 C1F H1F1 109.5 . . ?
C1F O1F H1F 109.5 . . ?
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 O1E 2.377(3) . ?
Dy1 O13C 2.442(2) . ?
Dy1 O12D 2.466(2) . ?
Dy1 N14A 2.469(2) . ?
Dy1 O13B 2.474(2) . ?
Dy1 N1A 2.508(2) . ?
Dy1 N8A 2.524(2) . ?
Dy1 O13D 2.559(2) . ?
Dy1 O12B 2.563(2) . ?
Dy1 O12C 2.567(2) . ?
Dy1 N1C 2.914(3) . ?
Dy1 N1D 2.946(3) . ?
N1A C2A 1.343(4) . ?
N1A C6A 1.349(4) . ?
C2A N7A 1.385(4) . ?
C2A C3A 1.393(4) . ?
C3A C4A 1.373(5) . ?
C3A H3A 0.9300 . ?
C4A C5A 1.377(5) . ?
C4A H4A 0.9300 . ?
C5A C6A 1.359(5) . ?
C5A H5A 0.9300 . ?
C6A H6A 0.9300 . ?
N7A N8A 1.352(3) . ?
N7A C7A 1.465(4) . ?
C7A H7A3 0.9600 . ?
C7A H7A2 0.9600 . ?
C7A H7A1 0.9600 . ?
N8A C9A 1.285(4) . ?
C9A C10A 1.435(4) . ?
C9A H9A 0.9300 . ?
C10A N14A 1.335(4) . ?
C10A N11A 1.353(4) . ?
N11A C12A 1.365(4) . ?
N11A C11A 1.460(4) . ?
C11A H11C 0.9600 . ?
C11A H11B 0.9600 . ?
C11A H11A 0.9600 . ?
C12A C13A 1.347(4) . ?
C12A H12A 0.9300 . ?
C13A N14A 1.365(4) . ?
C13A H13A 0.9300 . ?
N1B O11B 1.219(3) . ?
N1B O13B 1.267(3) . ?
N1B O12B 1.277(4) . ?
N1C O11C 1.218(4) . ?
N1C O13C 1.229(4) . ?
N1C O12C 1.281(4) . ?
N1D O11D 1.211(4) . ?
N1D O13D 1.254(4) . ?
N1D O12D 1.258(4) . ?
O1E H1E2 0.85(4) . ?
O1E H1E1 0.76(4) . ?
C1F O1F 1.394(6) . ?
C1F H1F3 0.9600 . ?
C1F H1F2 0.9600 . ?
C1F H1F1 0.9600 . ?
O1F H1F 0.8200 . ?
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
C6A N1A C2A N7A -178.4(3) . . . . ?
Dy1 N1A C2A N7A -2.7(3) . . . . ?
C6A N1A C2A C3A 2.6(4) . . . . ?
Dy1 N1A C2A C3A 178.2(2) . . . . ?
N1A C2A C3A C4A -1.6(4) . . . . ?
N7A C2A C3A C4A 179.4(3) . . . . ?
C2A C3A C4A C5A -0.8(5) . . . . ?
C3A C4A C5A C6A 2.1(5) . . . . ?
C2A N1A C6A C5A -1.2(5) . . . . ?
Dy1 N1A C6A C5A -176.9(2) . . . . ?
C4A C5A C6A N1A -1.2(5) . . . . ?
N1A C2A N7A N8A -8.1(4) . . . . ?
C3A C2A N7A N8A 170.9(3) . . . . ?
N1A C2A N7A C7A 176.6(3) . . . . ?
C3A C2A N7A C7A -4.3(4) . . . . ?
C2A N7A N8A C9A -167.9(3) . . . . ?
C7A N7A N8A C9A 7.5(4) . . . . ?
C2A N7A N8A Dy1 15.2(3) . . . . ?
C7A N7A N8A Dy1 -169.4(2) . . . . ?
N7A N8A C9A C10A 179.7(2) . . . . ?
Dy1 N8A C9A C10A -3.3(3) . . . . ?
N8A C9A C10A N14A -4.8(4) . . . . ?
N8A C9A C10A N11A 175.1(3) . . . . ?
N14A C10A N11A C12A 0.3(3) . . . . ?
C9A C10A N11A C12A -179.6(3) . . . . ?
N14A C10A N11A C11A 179.7(3) . . . . ?
C9A C10A N11A C11A -0.2(5) . . . . ?
C10A N11A C12A C13A -0.5(3) . . . . ?
C11A N11A C12A C13A 180.0(3) . . . . ?
N11A C12A C13A N14A 0.6(4) . . . . ?
N11A C10A N14A C13A 0.1(3) . . . . ?
C9A C10A N14A C13A -180.0(3) . . . . ?
N11A C10A N14A Dy1 -169.78(18) . . . . ?
C9A C10A N14A Dy1 10.1(4) . . . . ?
C12A C13A N14A C10A -0.4(4) . . . . ?
C12A C13A N14A Dy1 165.6(2) . . . . ?
O11B N1B O12B Dy1 178.9(3) . . . . ?
O13B N1B O12B Dy1 -0.7(3) . . . . ?
O11B N1B O13B Dy1 -178.9(3) . . . . ?
O12B N1B O13B Dy1 0.7(3) . . . . ?
O11C N1C O12C Dy1 173.1(3) . . . . ?
O13C N1C O12C Dy1 -6.5(3) . . . . ?
O11C N1C O13C Dy1 -172.7(3) . . . . ?
O12C N1C O13C Dy1 6.9(3) . . . . ?
O11D N1D O12D Dy1 179.1(3) . . . . ?
O13D N1D O12D Dy1 -1.9(3) . . . . ?
O11D N1D O13D Dy1 -179.2(3) . . . . ?
O12D N1D O13D Dy1 1.8(3) . . . . ?
