#------------------------------------------------------------------------------
#$Date: 2021-01-07 08:11:12 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260732 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/57/7705722.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_7705722
loop_
_publ_author_name
'Su, Sen-Da'
'Li, Jia-Xin'
'Xu, Fan'
'Wang, Chen-Xiao'
'Wang, Kai'
'Li, Yan'
'Zhang, Shu-Hua'
'Zhang, Xiu-Qing'
'Zhang, Yi-Quan'
'Liang, Fu-Pei'
_publ_section_title
;
 DyIII single-molecule magnets from ligands incorporating both
 amine and acylhydrazine Schiff base groups: the centrosymmetric
 {Dy₂} displaying dual magnetic relaxation behaviors.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15739
_journal_page_last               15749
_journal_paper_doi               10.1039/c9dt04434e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C36 H42 Dy2 N8 O12'
_chemical_formula_sum            'C36 H42 Dy2 N8 O12'
_chemical_formula_weight         1103.77
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2020-10-15
_audit_creation_method
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_audit_update_record
;
2020-10-15 deposited with the CCDC.	2020-10-19 downloaded from the CCDC.
;
_cell_angle_alpha                109.736(4)
_cell_angle_beta                 100.143(4)
_cell_angle_gamma                90.382(5)
_cell_formula_units_Z            1
_cell_length_a                   9.4383(5)
_cell_length_b                   10.7965(6)
_cell_length_c                   11.0469(4)
_cell_measurement_reflns_used    3088
_cell_measurement_temperature    298.15
_cell_measurement_theta_max      27.3650
_cell_measurement_theta_min      3.6350
_cell_volume                     1040.34(9)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_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    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      298.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0233
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -25.00   76.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.6266   19.0000    0.0000 101

#__ type_ start__ end____ width___ exp.time_
  2 omega    2.00   77.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.6266   57.0000   60.0000 75

#__ type_ start__ end____ width___ exp.time_
  3 omega   25.00   61.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.6266  -99.0000  -60.0000 36

#__ type_ start__ end____ width___ exp.time_
  4 omega   70.00   95.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.6266 -178.0000  -90.0000 25

#__ type_ start__ end____ width___ exp.time_
  5 omega  -54.00   31.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.6266  -19.0000  150.0000 85

#__ type_ start__ end____ width___ exp.time_
  6 omega  -11.00   35.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.6266   77.0000  150.0000 46
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0744331000
_diffrn_orient_matrix_UB_12      0.0196303000
_diffrn_orient_matrix_UB_13      0.0239382000
_diffrn_orient_matrix_UB_21      0.0171005000
_diffrn_orient_matrix_UB_22      -0.0662893000
_diffrn_orient_matrix_UB_23      -0.0277832000
_diffrn_orient_matrix_UB_31      0.0050673000
_diffrn_orient_matrix_UB_32      0.0108139000
_diffrn_orient_matrix_UB_33      -0.0590061000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_av_unetI/netI     0.0476
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6673
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.335
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.632
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83090
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.762
_exptl_crystal_description       block
_exptl_crystal_F_000             542
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.745
_refine_diff_density_min         -0.509
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         3644
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0273
_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)+(0.0180P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0522
_refine_ls_wR_factor_ref         0.0543
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3292
_reflns_number_total             3644
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt04434e2.cif
_cod_data_source_block           sr170522-5
_cod_depositor_comments
'Adding full bibliography for 7705722--7705724.cif.'
_cod_database_code               7705722
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C1 H1 O1 N1 Dy1'
_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   0.812
_shelx_estimated_absorpt_t_min   0.530
_reflns_odcompleteness_completeness 99.76
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O6-H6
 0.85 with sigma of 0.01
 C18-H6
 1.942172 with sigma of 0.02
 Dy1-H6
 2.968842 with sigma of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C10(H10), C11(H11), C12(H12), C13(H13)
3.b Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
;
_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 0.52414(2) 0.60480(2) 0.69937(2) 0.02648(7) Uani 1 1 d D . . . .
O1 O 0.6682(3) 0.4272(3) 0.6855(2) 0.0315(7) Uani 1 1 d . . . . .
O2 O 0.3716(3) 0.4531(3) 0.5182(2) 0.0327(7) Uani 1 1 d . . . . .
O3 O 0.2587(3) 0.3038(3) 0.3363(2) 0.0420(8) Uani 1 1 d . . . . .
O4 O 0.6622(3) 0.6866(3) 0.9169(2) 0.0400(8) Uani 1 1 d . . . . .
O5 O 0.5548(3) 0.8360(3) 0.8477(2) 0.0406(8) Uani 1 1 d . . . . .
O6 O 0.3968(3) 0.7277(3) 0.5729(2) 0.0396(8) Uani 1 1 d D . . . .
H6 H 0.351(4) 0.6836(18) 0.4950(18) 0.059 Uiso 1 1 d D U . . .
N1 N 0.6275(5) 0.1229(5) 0.8475(4) 0.0550(12) Uani 1 1 d . . . . .
H1A H 0.573(6) 0.188(5) 0.867(5) 0.08(2) Uiso 1 1 d . . . . .
H1B H 0.613(5) 0.036(5) 0.864(4) 0.067(15) Uiso 1 1 d . . . . .
N2 N 0.5527(4) 0.3535(3) 0.8199(3) 0.0344(9) Uani 1 1 d . . . . .
N3 N 0.4620(4) 0.4512(3) 0.8093(3) 0.0312(8) Uani 1 1 d . . . . .
N4 N 0.2903(4) 0.6428(3) 0.7954(3) 0.0308(8) Uani 1 1 d . . . . .
C1 C 0.7376(5) 0.1357(4) 0.7861(4) 0.0376(11) Uani 1 1 d . . . . .
C2 C 0.8329(5) 0.0348(5) 0.7600(4) 0.0524(13) Uani 1 1 d . . . . .
H2 H 0.817422 -0.039510 0.781833 0.063 Uiso 1 1 calc R U . . .
C3 C 0.9483(6) 0.0440(6) 0.7030(5) 0.0616(15) Uani 1 1 d . . . . .
H3 H 1.009478 -0.024417 0.685903 0.074 Uiso 1 1 calc R U . . .
C4 C 0.9751(6) 0.1535(6) 0.6705(5) 0.0692(17) Uani 1 1 d . . . . .
H4 H 1.056029 0.160982 0.635352 0.083 Uiso 1 1 calc R U . . .
C5 C 0.8801(5) 0.2512(5) 0.6908(4) 0.0486(13) Uani 1 1 d . . . . .
H5 H 0.896538 0.323619 0.666287 0.058 Uiso 1 1 calc R U . . .
C6 C 0.7599(5) 0.2456(4) 0.7471(4) 0.0332(10) Uani 1 1 d . . . . .
C7 C 0.6564(4) 0.3492(4) 0.7524(3) 0.0305(10) Uani 1 1 d . . . . .
C8 C 0.3553(5) 0.4638(4) 0.8693(4) 0.0355(10) Uani 1 1 d . . . . .
H8 H 0.341979 0.410171 0.917505 0.043 Uiso 1 1 calc R U . . .
C9 C 0.2555(5) 0.5643(4) 0.8601(4) 0.0348(10) Uani 1 1 d . . . . .
C10 C 0.1323(5) 0.5747(5) 0.9124(4) 0.0488(13) Uani 1 1 d . . . . .
H10 H 0.112555 0.519507 0.957206 0.059 Uiso 1 1 calc R U . . .
C11 C 0.0389(5) 0.6679(6) 0.8973(5) 0.0584(15) Uani 1 1 d . . . . .
H11 H -0.046253 0.675354 0.929868 0.070 Uiso 1 1 calc R U . . .
C12 C 0.0728(5) 0.7492(5) 0.8339(4) 0.0518(13) Uani 1 1 d . . . . .
H12 H 0.012183 0.814065 0.823902 0.062 Uiso 1 1 calc R U . . .
C13 C 0.1990(5) 0.7339(5) 0.7845(4) 0.0433(12) Uani 1 1 d . . . . .
H13 H 0.221365 0.789940 0.741497 0.052 Uiso 1 1 calc R U . . .
C14 C 0.2645(5) 0.3718(5) 0.4545(4) 0.0387(11) Uani 1 1 d . . . . .
C15 C 0.1433(6) 0.3564(7) 0.5204(5) 0.089(2) Uani 1 1 d . . . . .
H15A H 0.124952 0.441175 0.578205 0.133 Uiso 1 1 calc R U . . .
H15B H 0.169037 0.299205 0.569856 0.133 Uiso 1 1 calc R U . . .
H15C H 0.058042 0.318927 0.455485 0.133 Uiso 1 1 calc R U . . .
C16 C 0.6383(5) 0.8056(4) 0.9338(4) 0.0345(10) Uani 1 1 d . . . . .
C17 C 0.7104(6) 0.9116(5) 1.0563(4) 0.0592(15) Uani 1 1 d . . . . .
H17A H 0.726847 0.877466 1.126936 0.089 Uiso 1 1 calc R U . . .
H17B H 0.649860 0.984005 1.076793 0.089 Uiso 1 1 calc R U . . .
H17C H 0.801051 0.941495 1.043910 0.089 Uiso 1 1 calc R U . . .
C18 C 0.4369(8) 0.8585(6) 0.5751(5) 0.093(2) Uani 1 1 d D . . . .
H18A H 0.488156 0.851139 0.505535 0.140 Uiso 1 1 calc R U . . .
H18B H 0.497634 0.906640 0.657665 0.140 Uiso 1 1 calc R U . . .
H18C H 0.351520 0.904271 0.563687 0.140 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 O2 84.28(9) . . ?
O1 Dy1 O2 71.71(8) . 2_666 ?
O1 Dy1 O3 80.65(10) . 2_666 ?
O1 Dy1 O4 81.94(9) . . ?
O1 Dy1 O5 132.11(9) . . ?
O1 Dy1 O6 143.29(8) . . ?
O1 Dy1 N3 63.40(10) . . ?
O1 Dy1 N4 126.35(10) . . ?
O1 Dy1 C14 73.85(11) . 2_666 ?
O2 Dy1 O2 67.11(10) . 2_666 ?
O2 Dy1 O3 118.13(9) . 2_666 ?
O2 Dy1 O4 155.95(10) . . ?
O2 Dy1 O5 143.59(10) . . ?
O2 Dy1 O6 72.56(10) . . ?
O2 Dy1 N3 82.49(9) . . ?
O2 Dy1 N4 83.23(9) . . ?
O2 Dy1 C14 93.01(11) . 2_666 ?
O2 Dy1 C14 25.92(10) 2_666 2_666 ?
O3 Dy1 O2 51.14(8) 2_666 2_666 ?
O3 Dy1 O5 74.54(10) 2_666 . ?
O3 Dy1 N3 137.04(10) 2_666 . ?
O3 Dy1 N4 148.89(11) 2_666 . ?
O3 Dy1 C14 25.25(10) 2_666 2_666 ?
O4 Dy1 O2 125.81(9) . 2_666 ?
O4 Dy1 O3 78.89(9) . 2_666 ?
O4 Dy1 O5 53.68(9) . . ?
O4 Dy1 O6 128.46(10) . . ?
O4 Dy1 N3 73.73(10) . . ?
O4 Dy1 N4 89.19(10) . . ?
O4 Dy1 C14 101.90(11) . 2_666 ?
O5 Dy1 O2 117.69(9) . 2_666 ?
O5 Dy1 N3 112.15(9) . . ?
O5 Dy1 N4 75.26(10) . . ?
O5 Dy1 C14 96.49(12) . 2_666 ?
O6 Dy1 O2 73.15(9) . 2_666 ?
O6 Dy1 O3 85.59(10) . 2_666 ?
O6 Dy1 O5 74.86(9) . . ?
O6 Dy1 N3 137.34(11) . . ?
O6 Dy1 N4 79.53(10) . . ?
O6 Dy1 C14 79.24(11) . 2_666 ?
N3 Dy1 O2 127.62(10) . 2_666 ?
N3 Dy1 N4 63.31(10) . . ?
N3 Dy1 C14 137.25(12) . 2_666 ?
N4 Dy1 O2 144.33(9) . 2_666 ?
N4 Dy1 C14 158.60(11) . 2_666 ?
C7 O1 Dy1 121.8(2) . . ?
Dy1 O2 Dy1 112.89(10) . 2_666 ?
C14 O2 Dy1 88.6(2) . 2_666 ?
C14 O2 Dy1 158.4(2) . . ?
C14 O3 Dy1 99.4(3) . 2_666 ?
C16 O4 Dy1 94.4(2) . . ?
C16 O5 Dy1 91.1(3) . . ?
Dy1 O6 H6 117.6(14) . . ?
C18 O6 Dy1 127.8(3) . . ?
C18 O6 H6 107.6(14) . . ?
H1A N1 H1B 125(4) . . ?
C1 N1 H1A 117(4) . . ?
C1 N1 H1B 118(3) . . ?
C7 N2 N3 110.3(3) . . ?
N2 N3 Dy1 120.0(2) . . ?
C8 N3 Dy1 123.5(3) . . ?
C8 N3 N2 116.1(3) . . ?
C9 N4 Dy1 118.5(3) . . ?
C13 N4 Dy1 124.8(3) . . ?
C13 N4 C9 116.7(4) . . ?
N1 C1 C2 118.3(4) . . ?
N1 C1 C6 123.2(4) . . ?
C2 C1 C6 118.5(4) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 C1 121.1(5) . . ?
C3 C2 H2 119.5 . . ?
C2 C3 H3 119.5 . . ?
C2 C3 C4 120.9(5) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 H4 120.6 . . ?
C5 C4 C3 118.9(5) . . ?
C5 C4 H4 120.6 . . ?
C4 C5 H5 118.8 . . ?
C4 C5 C6 122.3(4) . . ?
C6 C5 H5 118.8 . . ?
C1 C6 C7 123.7(4) . . ?
C5 C6 C1 118.2(4) . . ?
C5 C6 C7 117.9(4) . . ?
O1 C7 N2 123.6(4) . . ?
O1 C7 C6 118.6(4) . . ?
N2 C7 C6 117.8(3) . . ?
N3 C8 H8 120.8 . . ?
N3 C8 C9 118.4(4) . . ?
C9 C8 H8 120.8 . . ?
N4 C9 C8 116.0(4) . . ?
N4 C9 C10 123.0(4) . . ?
C10 C9 C8 121.0(4) . . ?
C9 C10 H10 120.5 . . ?
C9 C10 C11 118.9(4) . . ?
C11 C10 H10 120.5 . . ?
C10 C11 H11 120.5 . . ?
C12 C11 C10 119.0(4) . . ?
C12 C11 H11 120.5 . . ?
C11 C12 H12 120.5 . . ?
C11 C12 C13 118.9(5) . . ?
C13 C12 H12 120.5 . . ?
N4 C13 C12 123.4(4) . . ?
N4 C13 H13 118.3 . . ?
C12 C13 H13 118.3 . . ?
O2 C14 C15 119.9(4) . . ?
O3 C14 O2 120.7(4) . . ?
O3 C14 C15 119.4(4) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O4 C16 C17 119.9(4) . . ?
O5 C16 O4 120.6(4) . . ?
O5 C16 C17 119.5(4) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O6 C18 H18A 109.5 . . ?
O6 C18 H18B 109.5 . . ?
O6 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 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 O1 2.337(3) . ?
Dy1 O2 2.346(3) . ?
Dy1 O2 2.639(2) 2_666 ?
Dy1 O3 2.419(3) 2_666 ?
Dy1 O4 2.388(2) . ?
Dy1 O5 2.462(3) . ?
Dy1 O6 2.416(3) . ?
Dy1 N3 2.483(3) . ?
Dy1 N4 2.590(3) . ?
Dy1 C14 2.900(4) 2_666 ?
O1 C7 1.309(4) . ?
O2 C14 1.268(5) . ?
O3 C14 1.254(5) . ?
O4 C16 1.263(5) . ?
O5 C16 1.258(5) . ?
O6 H6 0.864(9) . ?
O6 C18 1.451(6) . ?
N1 H1A 0.87(5) . ?
N1 H1B 1.02(5) . ?
N1 C1 1.368(6) . ?
N2 N3 1.386(5) . ?
N2 C7 1.323(5) . ?
N3 C8 1.284(5) . ?
N4 C9 1.351(5) . ?
N4 C13 1.334(5) . ?
C1 C2 1.404(6) . ?
C1 C6 1.418(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.370(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.379(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.375(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.397(6) . ?
C6 C7 1.483(5) . ?
C8 H8 0.9300 . ?
C8 C9 1.460(6) . ?
C9 C10 1.375(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.376(6) . ?
C11 H11 0.9300 . ?
C11 C12 1.362(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.383(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.496(6) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.490(5) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
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 C7 N2 8.3(5) . . . . ?
Dy1 O1 C7 C6 -174.9(2) . . . . ?
Dy1 O2 C14 O3 -171.2(5) . . . . ?
Dy1 O2 C14 O3 3.7(4) 2_666 . . . ?
Dy1 O2 C14 C15 8.8(11) . . . . ?
Dy1 O2 C14 C15 -176.3(5) 2_666 . . . ?
Dy1 O3 C14 O2 -4.0(5) 2_666 . . . ?
Dy1 O3 C14 C15 175.9(4) 2_666 . . . ?
Dy1 O4 C16 O5 4.3(4) . . . . ?
Dy1 O4 C16 C17 -175.2(4) . . . . ?
Dy1 O5 C16 O4 -4.2(4) . . . . ?
Dy1 O5 C16 C17 175.3(4) . . . . ?
Dy1 N3 C8 C9 7.2(5) . . . . ?
Dy1 N4 C9 C8 0.0(5) . . . . ?
Dy1 N4 C9 C10 -178.6(3) . . . . ?
Dy1 N4 C13 C12 178.1(3) . . . . ?
N1 C1 C2 C3 -177.7(5) . . . . ?
N1 C1 C6 C5 176.9(4) . . . . ?
N1 C1 C6 C7 -8.4(7) . . . . ?
N2 N3 C8 C9 -179.3(3) . . . . ?
N3 N2 C7 O1 -0.2(5) . . . . ?
N3 N2 C7 C6 -177.0(3) . . . . ?
N3 C8 C9 N4 -4.5(6) . . . . ?
N3 C8 C9 C10 174.2(4) . . . . ?
N4 C9 C10 C11 0.8(7) . . . . ?
C1 C2 C3 C4 0.6(8) . . . . ?
C1 C6 C7 O1 -163.4(4) . . . . ?
C1 C6 C7 N2 13.6(6) . . . . ?
C2 C1 C6 C5 -3.3(6) . . . . ?
C2 C1 C6 C7 171.3(4) . . . . ?
C2 C3 C4 C5 -2.9(9) . . . . ?
C3 C4 C5 C6 2.1(8) . . . . ?
C4 C5 C6 C1 1.0(7) . . . . ?
C4 C5 C6 C7 -173.9(4) . . . . ?
C5 C6 C7 O1 11.3(6) . . . . ?
C5 C6 C7 N2 -171.8(4) . . . . ?
C6 C1 C2 C3 2.6(7) . . . . ?
C7 N2 N3 Dy1 -7.3(4) . . . . ?
C7 N2 N3 C8 179.0(3) . . . . ?
C8 C9 C10 C11 -177.7(4) . . . . ?
C9 N4 C13 C12 -0.9(6) . . . . ?
C9 C10 C11 C12 -1.6(8) . . . . ?
C10 C11 C12 C13 1.2(8) . . . . ?
C11 C12 C13 N4 0.1(7) . . . . ?
C13 N4 C9 C8 179.0(4) . . . . ?
C13 N4 C9 C10 0.4(6) . . . . ?
