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#$Date: 2025-08-22 00:13:44 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301852 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/00/7060054.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_7060054
loop_
_publ_author_name
'Zhang, Xue-Mei'
'Duan, Yao-Yao'
'Gao, Hong-Ling'
'Cui, Jian-Zhong'
_publ_section_title
;
 Solvent-induced single-molecule magnet behavior and near-infrared
 luminescence properties of rare earth complexes
;
_journal_issue                   44
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              19135
_journal_page_last               19143
_journal_paper_doi               10.1039/D0NJ03837G
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C21 H24 Dy N3 O6'
_chemical_formula_sum            'C21 H24 Dy N3 O6'
_chemical_formula_weight         576.93
_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
_audit_creation_date             2020-09-21
_audit_creation_method
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_audit_update_record
;
2020-10-06 deposited with the CCDC.	2020-10-09 downloaded from the CCDC.
;
_cell_angle_alpha                89.52(3)
_cell_angle_beta                 86.23(3)
_cell_angle_gamma                77.98(3)
_cell_formula_units_Z            2
_cell_length_a                   9.0155(18)
_cell_length_b                   10.725(2)
_cell_length_c                   11.835(2)
_cell_measurement_reflns_used    3604
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9424
_cell_measurement_theta_min      1.7243
_cell_volume                     1116.8(4)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_diffrn_ambient_temperature      113.15
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Saturn 70 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_unetI/netI     0.0498
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13313
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.892
_diffrn_reflns_theta_min         1.724
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.386
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7343
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.716
_exptl_crystal_description       prism
_exptl_crystal_F_000             570
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.966
_refine_diff_density_min         -1.649
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         5289
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0316
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0346P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0669
_refine_ls_wR_factor_ref         0.0695
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4718
_reflns_number_total             5289
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj03837g2.cif
_cod_data_source_block           shelxl_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7060053--7060059.cif.'
_cod_database_code               7060054
_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_max   0.581
_shelx_estimated_absorpt_t_min   0.473
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B)
2.b Aromatic/amide H refined with riding coordinates:
 O6(H6), C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C9(H9), C10(H10), C11(H11),
 C17(H17)
2.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C19(H19A,H19B,H19C), C21(H21A,H21B,
 H21C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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 0.37418(2) 0.59291(2) 0.62566(2) 0.01775(6) Uani 1 1 d . . . . .
O1 O 0.3829(2) 0.4532(2) 0.4727(2) 0.0178(5) Uani 1 1 d . . . . .
O2 O 0.6563(3) 0.3887(2) 0.1892(2) 0.0248(5) Uani 1 1 d . . . . .
O3 O 0.8881(3) 0.3487(3) 0.0383(3) 0.0386(7) Uani 1 1 d . . . . .
O4 O 0.1614(3) 0.7570(2) 0.6581(2) 0.0250(5) Uani 1 1 d . . . . .
O5 O 0.3715(3) 0.7460(2) 0.4794(2) 0.0218(5) Uani 1 1 d . . . . .
O6 O 0.4941(3) 0.3908(2) 0.6970(2) 0.0271(6) Uani 1 1 d . . . . .
H6 H 0.523830 0.327222 0.639829 0.033 Uiso 1 1 calc R U . . .
N1 N 0.1583(3) 0.4767(3) 0.6287(3) 0.0218(6) Uani 1 1 d . . . . .
N2 N 0.3102(3) 0.2838(3) 0.3865(3) 0.0207(6) Uani 1 1 d . . . . .
N3 N 0.4423(3) 0.2850(3) 0.3154(3) 0.0208(6) Uani 1 1 d . . . . .
C1 C 0.0423(4) 0.4971(4) 0.7068(3) 0.0286(8) Uani 1 1 d . . . . .
H1 H 0.038976 0.560259 0.763289 0.034 Uiso 1 1 calc R U . . .
C2 C -0.0735(4) 0.4300(4) 0.7091(4) 0.0318(9) Uani 1 1 d . . . . .
H2 H -0.154995 0.447043 0.765723 0.038 Uiso 1 1 calc R U . . .
C3 C -0.0679(4) 0.3380(4) 0.6274(4) 0.0311(9) Uani 1 1 d . . . . .
H3 H -0.145838 0.290557 0.627289 0.037 Uiso 1 1 calc R U . . .
C4 C 0.0509(4) 0.3151(3) 0.5461(3) 0.0250(8) Uani 1 1 d . . . . .
H4 H 0.056254 0.251737 0.489520 0.030 Uiso 1 1 calc R U . . .
C5 C 0.1629(4) 0.3865(3) 0.5484(3) 0.0192(7) Uani 1 1 d . . . . .
C6 C 0.2937(4) 0.3734(3) 0.4635(3) 0.0186(7) Uani 1 1 d . . . . .
C7 C 0.4610(4) 0.2068(3) 0.2306(3) 0.0251(8) Uani 1 1 d . . . . .
H7 H 0.386859 0.156704 0.222557 0.030 Uiso 1 1 calc R U . . .
C8 C 0.5885(4) 0.1912(3) 0.1470(3) 0.0242(7) Uani 1 1 d . . . . .
C9 C 0.6184(5) 0.0798(4) 0.0793(3) 0.0311(9) Uani 1 1 d . . . . .
H9 H 0.554702 0.019686 0.088774 0.037 Uiso 1 1 calc R U . . .
C10 C 0.7395(5) 0.0577(4) -0.0004(4) 0.0386(10) Uani 1 1 d . . . . .
H10 H 0.759637 -0.018041 -0.044900 0.046 Uiso 1 1 calc R U . . .
C11 C 0.8322(5) 0.1459(4) -0.0160(4) 0.0366(10) Uani 1 1 d . . . . .
H11 H 0.915755 0.129850 -0.070905 0.044 Uiso 1 1 calc R U . . .
C12 C 0.8036(4) 0.2564(4) 0.0476(3) 0.0277(8) Uani 1 1 d . . . . .
C13 C 0.6799(4) 0.2838(3) 0.1306(3) 0.0238(7) Uani 1 1 d . . . . .
C14 C 1.0373(5) 0.3150(5) -0.0132(4) 0.0482(12) Uani 1 1 d . . . . .
H14A H 1.095110 0.242104 0.026446 0.072 Uiso 1 1 calc R U . . .
H14B H 1.087329 0.387512 -0.009077 0.072 Uiso 1 1 calc R U . . .
H14C H 1.032578 0.292158 -0.092726 0.072 Uiso 1 1 calc R U . . .
C15 C 0.0115(6) 0.9560(4) 0.7153(4) 0.0471(12) Uani 1 1 d . . . . .
H15A H -0.077760 0.916867 0.719067 0.071 Uiso 1 1 calc R U . . .
H15B H -0.015048 1.041308 0.682450 0.071 Uiso 1 1 calc R U . . .
H15C H 0.044993 0.962539 0.791678 0.071 Uiso 1 1 calc R U . . .
C16 C 0.1382(4) 0.8746(3) 0.6421(3) 0.0269(8) Uani 1 1 d . . . . .
C17 C 0.2200(4) 0.9341(3) 0.5606(3) 0.0310(9) Uani 1 1 d . . . . .
H17 H 0.200052 1.024584 0.559211 0.037 Uiso 1 1 calc R U . . .
C18 C 0.3284(4) 0.8679(3) 0.4819(3) 0.0240(7) Uani 1 1 d . . . . .
C19 C 0.3999(5) 0.9396(4) 0.3914(4) 0.0372(10) Uani 1 1 d . . . . .
H19A H 0.510730 0.917397 0.393848 0.056 Uiso 1 1 calc R U . . .
H19B H 0.364355 1.031423 0.404148 0.056 Uiso 1 1 calc R U . . .
H19C H 0.371295 0.916720 0.317028 0.056 Uiso 1 1 calc R U . . .
C20 C 0.5311(4) 0.3447(4) 0.8089(3) 0.0313(8) Uani 1 1 d . . . . .
H20A H 0.558749 0.413340 0.853316 0.038 Uiso 1 1 calc R U . . .
H20B H 0.619528 0.272290 0.802996 0.038 Uiso 1 1 calc R U . . .
C21 C 0.3992(6) 0.3030(5) 0.8678(4) 0.0575(14) Uani 1 1 d . . . . .
H21A H 0.311871 0.374864 0.873750 0.086 Uiso 1 1 calc R U . . .
H21B H 0.425298 0.272760 0.943752 0.086 Uiso 1 1 calc R U . . .
H21C H 0.373471 0.233707 0.824579 0.086 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'
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'
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
O1 Dy1 Dy1 34.19(5) . 2_666 ?
O1 Dy1 Dy1 33.79(6) 2_666 2_666 ?
O1 Dy1 O1 67.97(9) . 2_666 ?
O1 Dy1 O5 73.00(8) 2_666 . ?
O1 Dy1 O5 82.79(8) . . ?
O1 Dy1 O6 75.52(9) 2_666 . ?
O1 Dy1 O6 76.27(9) . . ?
O1 Dy1 N1 65.13(9) . . ?
O1 Dy1 N1 130.65(8) 2_666 . ?
O1 Dy1 N3 63.99(9) 2_666 2_666 ?
O1 Dy1 N3 131.49(9) . 2_666 ?
O2 Dy1 Dy1 144.46(7) 2_666 2_666 ?
O2 Dy1 O1 144.26(8) 2_666 . ?
O2 Dy1 O1 122.63(9) 2_666 2_666 ?
O2 Dy1 O4 75.45(10) 2_666 . ?
O2 Dy1 O5 132.23(8) 2_666 . ?
O2 Dy1 O6 74.54(9) 2_666 . ?
O2 Dy1 N1 89.43(10) 2_666 . ?
O2 Dy1 N3 72.98(10) 2_666 2_666 ?
O4 Dy1 Dy1 140.08(7) . 2_666 ?
O4 Dy1 O1 141.69(8) . 2_666 ?
O4 Dy1 O1 119.06(9) . . ?
O4 Dy1 O5 70.97(9) . . ?
O4 Dy1 O6 141.89(9) . . ?
O4 Dy1 N1 77.38(9) . . ?
O4 Dy1 N3 95.53(9) . 2_666 ?
O5 Dy1 Dy1 75.38(6) . 2_666 ?
O5 Dy1 O6 146.95(9) . . ?
O5 Dy1 N1 114.50(9) . . ?
O5 Dy1 N3 77.47(9) . 2_666 ?
O6 Dy1 Dy1 72.91(7) . 2_666 ?
O6 Dy1 N1 79.36(9) . . ?
O6 Dy1 N3 97.61(10) . 2_666 ?
N1 Dy1 Dy1 98.20(7) . 2_666 ?
N3 Dy1 Dy1 97.56(7) 2_666 2_666 ?
N3 Dy1 N1 162.26(10) 2_666 . ?
Dy1 O1 Dy1 112.03(9) . 2_666 ?
C6 O1 Dy1 125.3(2) . . ?
C6 O1 Dy1 118.3(2) . 2_666 ?
C13 O2 Dy1 126.7(2) . 2_666 ?
C12 O3 C14 118.0(3) . . ?
C16 O4 Dy1 133.0(2) . . ?
C18 O5 Dy1 130.8(2) . . ?
Dy1 O6 H6 113.3 . . ?
C20 O6 Dy1 133.5(2) . . ?
C20 O6 H6 113.3 . . ?
C1 N1 Dy1 123.4(2) . . ?
C1 N1 C5 118.5(3) . . ?
C5 N1 Dy1 118.0(2) . . ?
C6 N2 N3 109.6(2) . . ?
N2 N3 Dy1 119.1(2) . 2_666 ?
C7 N3 Dy1 126.4(2) . 2_666 ?
C7 N3 N2 114.0(3) . . ?
N1 C1 H1 118.6 . . ?
N1 C1 C2 122.7(4) . . ?
C2 C1 H1 118.6 . . ?
C1 C2 H2 120.8 . . ?
C3 C2 C1 118.4(3) . . ?
C3 C2 H2 120.8 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.9(3) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 120.7 . . ?
C3 C4 C5 118.7(3) . . ?
C5 C4 H4 120.7 . . ?
N1 C5 C4 121.8(3) . . ?
N1 C5 C6 114.6(3) . . ?
C4 C5 C6 123.6(3) . . ?
O1 C6 N2 125.6(3) . . ?
O1 C6 C5 116.2(3) . . ?
N2 C6 C5 118.2(3) . . ?
N3 C7 H7 118.1 . . ?
N3 C7 C8 123.8(3) . . ?
C8 C7 H7 118.1 . . ?
C9 C8 C7 117.3(3) . . ?
C9 C8 C13 120.2(3) . . ?
C13 C8 C7 122.5(3) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.4(4) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 119.9 . . ?
C9 C10 C11 120.2(4) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.4(4) . . ?
C12 C11 H11 119.8 . . ?
O3 C12 C11 124.7(4) . . ?
O3 C12 C13 113.8(3) . . ?
C11 C12 C13 121.5(4) . . ?
O2 C13 C8 122.9(3) . . ?
O2 C13 C12 119.9(3) . . ?
C12 C13 C8 117.2(3) . . ?
O3 C14 H14A 109.5 . . ?
O3 C14 H14B 109.5 . . ?
O3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C16 C15 H15C 109.5 . . ?
O4 C16 C15 116.7(4) . . ?
O4 C16 C17 124.4(3) . . ?
C17 C16 C15 118.9(3) . . ?
C16 C17 H17 118.2 . . ?
C18 C17 C16 123.6(3) . . ?
C18 C17 H17 118.2 . . ?
O5 C18 C17 123.9(3) . . ?
O5 C18 C19 116.3(3) . . ?
C17 C18 C19 119.8(3) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O6 C20 H20A 109.6 . . ?
O6 C20 H20B 109.6 . . ?
O6 C20 C21 110.2(3) . . ?
H20A C20 H20B 108.1 . . ?
C21 C20 H20A 109.6 . . ?
C21 C20 H20B 109.6 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 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 Dy1 3.9108(14) 2_666 ?
Dy1 O1 2.346(2) . ?
Dy1 O1 2.370(2) 2_666 ?
Dy1 O2 2.196(3) 2_666 ?
Dy1 O4 2.330(2) . ?
Dy1 O5 2.373(2) . ?
Dy1 O6 2.387(2) . ?
Dy1 N1 2.518(3) . ?
Dy1 N3 2.451(3) 2_666 ?
O1 C6 1.301(4) . ?
O2 C13 1.298(4) . ?
O3 C12 1.369(5) . ?
O3 C14 1.415(5) . ?
O4 C16 1.250(4) . ?
O5 C18 1.284(4) . ?
O6 H6 0.9500 . ?
O6 C20 1.445(4) . ?
N1 C1 1.333(4) . ?
N1 C5 1.354(4) . ?
N2 N3 1.414(4) . ?
N2 C6 1.308(4) . ?
N3 C7 1.294(5) . ?
C1 H1 0.9500 . ?
C1 C2 1.385(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.378(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.375(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.391(4) . ?
C5 C6 1.483(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.450(5) . ?
C8 C9 1.413(5) . ?
C8 C13 1.421(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.377(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.390(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.379(5) . ?
C12 C13 1.421(5) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15 C16 1.512(5) . ?
C16 C17 1.405(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.389(5) . ?
C18 C19 1.502(5) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.485(6) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
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
Dy1 O1 C6 N2 -15.8(4) 2_666 . . . ?
Dy1 O1 C6 N2 -170.4(3) . . . . ?
Dy1 O1 C6 C5 9.6(4) . . . . ?
Dy1 O1 C6 C5 164.2(2) 2_666 . . . ?
Dy1 O2 C13 C8 50.0(5) 2_666 . . . ?
Dy1 O2 C13 C12 -128.6(3) 2_666 . . . ?
Dy1 O4 C16 C15 -155.3(3) . . . . ?
Dy1 O4 C16 C17 25.6(6) . . . . ?
Dy1 O5 C18 C17 -26.6(5) . . . . ?
Dy1 O5 C18 C19 154.7(3) . . . . ?
Dy1 O6 C20 C21 86.0(4) . . . . ?
Dy1 N1 C1 C2 -178.2(3) . . . . ?
Dy1 N1 C5 C4 177.9(3) . . . . ?
Dy1 N1 C5 C6 -3.4(4) . . . . ?
Dy1 N3 C7 C8 -8.3(5) 2_666 . . . ?
O3 C12 C13 O2 0.0(5) . . . . ?
O3 C12 C13 C8 -178.7(3) . . . . ?
O4 C16 C17 C18 5.4(6) . . . . ?
N1 C1 C2 C3 0.3(6) . . . . ?
N1 C5 C6 O1 -3.3(4) . . . . ?
N1 C5 C6 N2 176.6(3) . . . . ?
N2 N3 C7 C8 -179.7(3) . . . . ?
N3 N2 C6 O1 1.2(5) . . . . ?
N3 N2 C6 C5 -178.8(3) . . . . ?
N3 C7 C8 C9 162.3(4) . . . . ?
N3 C7 C8 C13 -18.8(6) . . . . ?
C1 N1 C5 C4 -0.3(5) . . . . ?
C1 N1 C5 C6 178.4(3) . . . . ?
C1 C2 C3 C4 -0.2(6) . . . . ?
C2 C3 C4 C5 -0.2(6) . . . . ?
C3 C4 C5 N1 0.5(5) . . . . ?
C3 C4 C5 C6 -178.1(3) . . . . ?
C4 C5 C6 O1 175.3(3) . . . . ?
C4 C5 C6 N2 -4.7(5) . . . . ?
C5 N1 C1 C2 -0.1(6) . . . . ?
C6 N2 N3 Dy1 13.6(3) . . . 2_666 ?
C6 N2 N3 C7 -174.4(3) . . . . ?
C7 C8 C9 C10 -178.8(4) . . . . ?
C7 C8 C13 O2 0.1(6) . . . . ?
C7 C8 C13 C12 178.8(3) . . . . ?
C8 C9 C10 C11 -0.9(7) . . . . ?
C9 C8 C13 O2 179.0(3) . . . . ?
C9 C8 C13 C12 -2.4(5) . . . . ?
C9 C10 C11 C12 -0.3(7) . . . . ?
C10 C11 C12 O3 -179.9(4) . . . . ?
C10 C11 C12 C13 0.1(6) . . . . ?
C11 C12 C13 O2 179.9(4) . . . . ?
C11 C12 C13 C8 1.2(6) . . . . ?
C13 C8 C9 C10 2.3(6) . . . . ?
C14 O3 C12 C11 -19.6(6) . . . . ?
C14 O3 C12 C13 160.3(4) . . . . ?
C15 C16 C17 C18 -173.6(4) . . . . ?
C16 C17 C18 O5 -4.1(6) . . . . ?
C16 C17 C18 C19 174.5(4) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168349977
