#------------------------------------------------------------------------------
#$Date: 2023-09-13 01:56:30 +0300 (Wed, 13 Sep 2023) $
#$Revision: 286309 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/39/7713933.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_7713933
loop_
_publ_author_name
'Armenis, Alexandros'
'Alexandropoulos, Dimitris'
'Worrell, Anne'
'Cunha-Silva, Luis'
'Dunbar, Kim R.'
'Stamatatos, Theocharis'
_publ_section_title
;
 Peripheral site modification in a family of dinuclear
 [Dy2(hynad)2-6(NO3)0-6(sol)0-2]0/2- single-molecule magnets bearing a
 {Dy2(μ-OR)2}4+ diamond-shaped core and exhibiting dissimilar magnetic
 dynamics
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT02596A
_journal_year                    2023
_chemical_formula_sum            'C78 H54 Dy2 N8 O22'
_chemical_formula_weight         1780.29
_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-2014/7
_audit_update_record
;
2023-06-30 deposited with the CCDC.	2023-09-12 downloaded from the CCDC.
;
_cell_angle_alpha                94.080(3)
_cell_angle_beta                 93.689(3)
_cell_angle_gamma                94.619(3)
_cell_formula_units_Z            1
_cell_length_a                   12.1938(8)
_cell_length_b                   12.3905(8)
_cell_length_c                   14.0035(9)
_cell_measurement_reflns_used    9105
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.46
_cell_measurement_theta_min      2.46
_cell_volume                     2098.3(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0602
_diffrn_reflns_av_unetI/netI     0.0332
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            62031
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.680
_exptl_absorpt_coefficient_mu    1.840
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6616
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_description       plate
_exptl_crystal_F_000             886
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.393
_refine_diff_density_min         -2.629
_refine_diff_density_rms         0.271
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.253
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         7395
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.253
_refine_ls_R_factor_all          0.0750
_refine_ls_R_factor_gt           0.0714
_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)+(0.0909P)²+35.5448P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2009
_refine_ls_wR_factor_ref         0.2032
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6965
_reflns_number_total             7395
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt02596a2.cif
_cod_data_source_block           aw1062a_0m_a_a_sq
_cod_database_code               7713933
_shelx_shelxl_version_number     2014/7
_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.
;
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
Dy01 Dy 0.55115(3) 0.59439(3) 0.62495(3) 0.01151(17) Uani 1 1 d . . . . .
N1 N 0.4106(7) 0.4460(7) 0.7606(5) 0.0169(10) Uani 1 1 d . . . . .
N2 N 0.3160(6) 0.5831(6) 0.4935(5) 0.0127(15) Uani 1 1 d . . . . .
N3 N 0.6944(7) 0.8135(7) 0.7060(6) 0.0188(17) Uani 1 1 d . . . . .
N4 N 0.8553(13) 0.9858(9) 0.4234(9) 0.062(4) Uani 1 1 d . . . . .
O1 O 0.4228(5) 0.5595(5) 0.4883(4) 0.0133(13) Uani 1 1 d . . . . .
O2 O 0.2844(5) 0.5095(5) 0.3407(5) 0.0175(14) Uani 1 1 d . . . . .
O3 O 0.3565(5) 0.6403(6) 0.6487(5) 0.0196(14) Uani 1 1 d . . . . .
O4 O 0.5291(6) 0.7879(6) 0.6221(5) 0.0240(16) Uani 1 1 d . . . . .
O5 O 0.6973(6) 0.7048(5) 0.7007(5) 0.0198(14) Uani 1 1 d . . . . .
O6 O 0.8579(6) 0.8340(6) 0.7952(5) 0.0252(16) Uani 1 1 d . . . . .
O7 O 0.4567(5) 0.4387(5) 0.6743(4) 0.0169(10) Uani 1 1 d . . . . .
O8 O 0.5105(6) 0.6067(6) 0.7938(5) 0.0241(8) Uani 1 1 d . . . . .
O9 O 0.3086(7) 0.2858(7) 0.7178(5) 0.0310(18) Uani 1 1 d . . . . .
O10 O 0.7550(8) 0.8639(7) 0.5006(6) 0.038(2) Uani 1 1 d . . . . .
O11 O 0.6524(5) 0.6544(5) 0.4919(5) 0.0180(14) Uani 1 1 d D . . . .
H11 H 0.6203 0.6269 0.4399 0.027 Uiso 1 1 calc DR U . . .
C1 C 0.4438(9) 0.5358(9) 0.8201(7) 0.0241(8) Uani 1 1 d . . . . .
C2 C 0.3999(9) 0.5433(9) 0.9140(7) 0.0241(8) Uani 1 1 d . . . . .
C3 C 0.4303(9) 0.6315(9) 0.9797(7) 0.0241(8) Uani 1 1 d . . . . .
H3 H 0.4759 0.6911 0.9611 0.029 Uiso 1 1 calc R U . . .
C4 C 0.3946(9) 0.6343(9) 1.0734(7) 0.0241(8) Uani 1 1 d . . . . .
H4 H 0.4155 0.6956 1.1174 0.029 Uiso 1 1 calc R U . . .
C5 C 0.3293(9) 0.5479(9) 1.1010(7) 0.0241(8) Uani 1 1 d . . . . .
H5 H 0.3048 0.5517 1.1640 0.029 Uiso 1 1 calc R U . . .
C6 C 0.2973(9) 0.4542(10) 1.0398(7) 0.031(3) Uani 1 1 d . . . . .
C7 C 0.2380(10) 0.3615(11) 1.0683(8) 0.037(3) Uani 1 1 d . . . . .
H7 H 0.2186 0.3599 1.1328 0.044 Uiso 1 1 calc R U . . .
C8 C 0.2083(10) 0.2756(13) 1.0065(10) 0.043(3) Uani 1 1 d . . . . .
H8 H 0.1665 0.2146 1.0271 0.052 Uiso 1 1 calc R U . . .
C9 C 0.2391(10) 0.2743(11) 0.9083(9) 0.037(3) Uani 1 1 d . . . . .
H9 H 0.2181 0.2127 0.8648 0.044 Uiso 1 1 calc R U . . .
C10 C 0.2984(9) 0.3621(9) 0.8789(7) 0.026(2) Uani 1 1 d . . . . .
C11 C 0.3316(8) 0.4540(10) 0.9438(7) 0.024(2) Uani 1 1 d . . . . .
H11A H 0.703(8) 0.718(6) 0.490(3) 0.036 Uiso 1 1 d D U . . .
C12 C 0.3371(8) 0.3582(8) 0.7797(7) 0.020(2) Uani 1 1 d . . . . .
C13 C 0.2858(8) 0.6251(7) 0.5809(6) 0.0143(18) Uani 1 1 d . . . . .
C14 C 0.1698(8) 0.6496(7) 0.5860(7) 0.0175(19) Uani 1 1 d . . . . .
C15 C 0.1334(9) 0.6882(9) 0.6722(8) 0.026(2) Uani 1 1 d . . . . .
H15 H 0.1835 0.7013 0.7274 0.031 Uiso 1 1 calc R U . . .
C16 C 0.0234(9) 0.7079(9) 0.6779(9) 0.028(2) Uani 1 1 d . . . . .
H16 H -0.0014 0.7337 0.7376 0.033 Uiso 1 1 calc R U . . .
C17 C -0.0502(9) 0.6907(9) 0.5990(9) 0.029(3) Uani 1 1 d . . . . .
H17 H -0.1250 0.7047 0.6045 0.035 Uiso 1 1 calc R U . . .
C18 C -0.0148(8) 0.6519(8) 0.5086(8) 0.024(2) Uani 1 1 d . . . . .
C19 C 0.0979(8) 0.6296(7) 0.5029(8) 0.019(2) Uani 1 1 d . . . . .
C20 C -0.0878(9) 0.6313(9) 0.4235(9) 0.031(3) Uani 1 1 d . . . . .
H20 H -0.1629 0.6459 0.4258 0.037 Uiso 1 1 calc R U . . .
C21 C -0.0508(9) 0.5912(10) 0.3396(9) 0.032(3) Uani 1 1 d . . . . .
H21 H -0.0996 0.5798 0.2835 0.038 Uiso 1 1 calc R U . . .
C22 C 0.0602(8) 0.5664(8) 0.3360(8) 0.023(2) Uani 1 1 d . . . . .
H22 H 0.0849 0.5364 0.2777 0.028 Uiso 1 1 calc R U . . .
C23 C 0.1326(8) 0.5854(8) 0.4157(7) 0.0177(19) Uani 1 1 d . . . . .
C24 C 0.2475(7) 0.5565(7) 0.4124(6) 0.0125(18) Uani 1 1 d . . . . .
C25 C 0.6041(9) 0.8531(9) 0.6612(7) 0.026(2) Uani 1 1 d . . . . .
C26 C 0.6002(10) 0.9726(9) 0.6629(8) 0.032(3) Uani 1 1 d . . . . .
C27 C 0.5101(13) 1.0156(11) 0.6188(11) 0.047(3) Uani 1 1 d . . . . .
H27 H 0.4498 0.9690 0.5895 0.056 Uiso 1 1 calc R U . . .
C28 C 0.5090(14) 1.1293(11) 0.6179(12) 0.055(4) Uani 1 1 d . . . . .
H28 H 0.4486 1.1586 0.5857 0.066 Uiso 1 1 calc R U . . .
C29 C 0.5938(13) 1.1989(10) 0.6629(10) 0.047(3) Uani 1 1 d . . . . .
H29 H 0.5906 1.2752 0.6631 0.056 Uiso 1 1 calc R U . . .
C30 C 0.6864(12) 1.1553(9) 0.7091(9) 0.037(3) Uani 1 1 d . . . . .
C31 C 0.6890(10) 1.0397(9) 0.7092(9) 0.031(3) Uani 1 1 d . . . . .
C32 C 0.7800(9) 0.9964(9) 0.7551(8) 0.026(2) Uani 1 1 d . . . . .
C33 C 0.8695(11) 1.0645(9) 0.7974(9) 0.035(3) Uani 1 1 d . . . . .
H33 H 0.9311 1.0348 0.8275 0.042 Uiso 1 1 calc R U . . .
C34 C 0.8674(14) 1.1767(11) 0.7948(11) 0.051(4) Uani 1 1 d . . . . .
H34 H 0.9281 1.2233 0.8234 0.061 Uiso 1 1 calc R U . . .
C35 C 0.7777(12) 1.2212(10) 0.7510(10) 0.043(3) Uani 1 1 d . . . . .
H35 H 0.7785 1.2978 0.7495 0.052 Uiso 1 1 calc R U . . .
C36 C 0.7836(8) 0.8781(8) 0.7558(7) 0.021(2) Uani 1 1 d . . . . .
C37 C 0.8101(18) 0.8874(12) 0.4350(13) 0.074(3) Uani 1 1 d . . . . .
H37 H 0.8217 0.8308 0.3883 0.089 Uiso 1 1 calc R U . . .
C38 C 0.9158(18) 1.0074(12) 0.3387(13) 0.074(3) Uani 1 1 d . . . . .
H38A H 0.9881 1.0452 0.3591 0.111 Uiso 1 1 calc R U . . .
H38B H 0.8740 1.0528 0.2978 0.111 Uiso 1 1 calc R U . . .
H38C H 0.9257 0.9385 0.3027 0.111 Uiso 1 1 calc R U . . .
C39 C 0.8353(19) 1.0774(12) 0.4891(13) 0.074(3) Uani 1 1 d . . . . .
H39A H 0.7863 1.1242 0.4565 0.111 Uiso 1 1 calc R U . . .
H39B H 0.9055 1.1191 0.5101 0.111 Uiso 1 1 calc R U . . .
H39C H 0.8006 1.0506 0.5451 0.111 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
O5 Dy01 O7 130.2(2) . . ?
O5 Dy01 O1 147.3(2) . . ?
O7 Dy01 O1 82.6(2) . . ?
O5 Dy01 O11 77.1(2) . . ?
O7 Dy01 O11 140.4(2) . . ?
O1 Dy01 O11 75.4(2) . . ?
O5 Dy01 O4 66.0(2) . . ?
O7 Dy01 O4 138.7(2) . . ?
O1 Dy01 O4 89.6(2) . . ?
O11 Dy01 O4 74.4(2) . . ?
O5 Dy01 O8 75.8(2) . . ?
O7 Dy01 O8 65.6(2) . . ?
O1 Dy01 O8 127.4(2) . . ?
O11 Dy01 O8 152.1(2) . . ?
O4 Dy01 O8 88.7(2) . . ?
O5 Dy01 O1 122.4(2) . 2_666 ?
O7 Dy01 O1 71.3(2) . 2_666 ?
O1 Dy01 O1 62.4(2) . 2_666 ?
O11 Dy01 O1 69.3(2) . 2_666 ?
O4 Dy01 O1 138.4(2) . 2_666 ?
O8 Dy01 O1 132.5(2) . 2_666 ?
O5 Dy01 O2 68.3(2) . 2_666 ?
O7 Dy01 O2 82.4(2) . 2_666 ?
O1 Dy01 O2 125.4(2) . 2_666 ?
O11 Dy01 O2 84.0(2) . 2_666 ?
O4 Dy01 O2 132.5(2) . 2_666 ?
O8 Dy01 O2 91.9(2) . 2_666 ?
O1 Dy01 O2 63.0(2) 2_666 2_666 ?
O5 Dy01 O3 119.5(2) . . ?
O7 Dy01 O3 73.2(2) . . ?
O1 Dy01 O3 63.8(2) . . ?
O11 Dy01 O3 122.6(2) . . ?
O4 Dy01 O3 67.0(2) . . ?
O8 Dy01 O3 67.3(2) . . ?
O1 Dy01 O3 117.9(2) 2_666 . ?
O2 Dy01 O3 152.8(2) 2_666 . ?
C1 N1 O7 116.4(8) . . ?
C1 N1 C12 127.0(8) . . ?
O7 N1 C12 116.6(7) . . ?
O1 N2 C24 116.3(7) . . ?
O1 N2 C13 117.3(7) . . ?
C24 N2 C13 126.3(8) . . ?
O5 N3 C25 116.8(8) . . ?
O5 N3 C36 118.3(8) . . ?
C25 N3 C36 124.9(9) . . ?
C37 N4 C39 120.3(12) . . ?
C37 N4 C38 121.0(12) . . ?
C39 N4 C38 118.4(11) . . ?
N2 O1 Dy01 120.6(5) . . ?
N2 O1 Dy01 114.6(5) . 2_666 ?
Dy01 O1 Dy01 117.6(2) . 2_666 ?
C24 O2 Dy01 115.5(6) . 2_666 ?
C13 O3 Dy01 119.7(6) . . ?
C25 O4 Dy01 118.3(7) . . ?
N3 O5 Dy01 120.0(5) . . ?
N1 O7 Dy01 118.2(5) . . ?
C1 O8 Dy01 117.4(6) . . ?
Dy01 O11 H11 109.5 . . ?
Dy01 O11 H11A 129(4) . . ?
H11 O11 H11A 118.3 . . ?
O8 C1 N1 119.9(9) . . ?
O8 C1 C2 122.5(10) . . ?
N1 C1 C2 117.6(10) . . ?
C3 C2 C11 118.5(9) . . ?
C3 C2 C1 121.4(10) . . ?
C11 C2 C1 119.8(10) . . ?
C2 C3 C4 121.2(10) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C5 C4 C3 119.6(10) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 122.8(10) . . ?
C4 C5 H5 118.6 . . ?
C6 C5 H5 118.6 . . ?
C7 C6 C5 124.1(10) . . ?
C7 C6 C11 119.1(11) . . ?
C5 C6 C11 116.8(11) . . ?
C8 C7 C6 121.3(11) . . ?
C8 C7 H7 119.4 . . ?
C6 C7 H7 119.4 . . ?
C7 C8 C9 120.7(12) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C10 C9 C8 119.5(12) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C9 C10 C11 120.7(10) . . ?
C9 C10 C12 119.7(11) . . ?
C11 C10 C12 119.4(9) . . ?
C10 C11 C2 120.4(9) . . ?
C10 C11 C6 118.6(10) . . ?
C2 C11 C6 121.0(11) . . ?
O9 C12 N1 120.5(8) . . ?
O9 C12 C10 124.1(9) . . ?
N1 C12 C10 115.4(9) . . ?
O3 C13 N2 118.6(8) . . ?
O3 C13 C14 124.5(8) . . ?
N2 C13 C14 116.9(8) . . ?
C15 C14 C19 121.5(9) . . ?
C15 C14 C13 119.7(9) . . ?
C19 C14 C13 118.8(9) . . ?
C14 C15 C16 119.8(11) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 H15 120.1 . . ?
C17 C16 C15 121.2(10) . . ?
C17 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C16 C17 C18 120.3(10) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C17 C18 C19 118.6(10) . . ?
C17 C18 C20 123.1(10) . . ?
C19 C18 C20 118.3(10) . . ?
C23 C19 C14 122.1(9) . . ?
C23 C19 C18 119.3(10) . . ?
C14 C19 C18 118.6(9) . . ?
C21 C20 C18 120.9(10) . . ?
C21 C20 H20 119.5 . . ?
C18 C20 H20 119.5 . . ?
C20 C21 C22 120.0(11) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C23 C22 C21 120.7(11) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C22 C23 C19 120.6(9) . . ?
C22 C23 C24 120.6(9) . . ?
C19 C23 C24 118.8(9) . . ?
O2 C24 N2 119.2(8) . . ?
O2 C24 C23 123.8(8) . . ?
N2 C24 C23 116.9(8) . . ?
O4 C25 N3 118.9(10) . . ?
O4 C25 C26 123.0(10) . . ?
N3 C25 C26 118.1(10) . . ?
C27 C26 C31 121.5(11) . . ?
C27 C26 C25 119.8(11) . . ?
C31 C26 C25 118.7(10) . . ?
C26 C27 C28 119.4(14) . . ?
C26 C27 H27 120.3 . . ?
C28 C27 H27 120.3 . . ?
C29 C28 C27 121.4(13) . . ?
C29 C28 H28 119.3 . . ?
C27 C28 H28 119.3 . . ?
C28 C29 C30 119.6(12) . . ?
C28 C29 H29 120.2 . . ?
C30 C29 H29 120.2 . . ?
C35 C30 C29 122.3(12) . . ?
C35 C30 C31 118.3(12) . . ?
C29 C30 C31 119.4(12) . . ?
C26 C31 C32 121.7(10) . . ?
C26 C31 C30 118.8(11) . . ?
C32 C31 C30 119.5(11) . . ?
C33 C32 C31 120.8(10) . . ?
C33 C32 C36 119.1(11) . . ?
C31 C32 C36 120.1(10) . . ?
C34 C33 C32 119.2(13) . . ?
C34 C33 H33 120.4 . . ?
C32 C33 H33 120.4 . . ?
C35 C34 C33 121.0(13) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C34 C35 C30 121.2(12) . . ?
C34 C35 H35 119.4 . . ?
C30 C35 H35 119.4 . . ?
O6 C36 N3 119.2(9) . . ?
O6 C36 C32 124.4(10) . . ?
N3 C36 C32 116.4(9) . . ?
O10 C37 N4 125.0(14) . . ?
O10 C37 H37 117.5 . . ?
N4 C37 H37 117.5 . . ?
N4 C38 H38A 109.5 . . ?
N4 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
N4 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N4 C39 H39A 109.5 . . ?
N4 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
N4 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 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
Dy01 O5 2.309(7) . ?
Dy01 O7 2.337(6) . ?
Dy01 O1 2.384(6) . ?
Dy01 O11 2.429(7) . ?
Dy01 O4 2.436(7) . ?
Dy01 O8 2.443(7) . ?
Dy01 O1 2.447(6) 2_666 ?
Dy01 O2 2.509(6) 2_666 ?
Dy01 O3 2.522(7) . ?
N1 C1 1.360(14) . ?
N1 O7 1.365(10) . ?
N1 C12 1.404(13) . ?
N2 O1 1.362(9) . ?
N2 C24 1.371(12) . ?
N2 C13 1.379(12) . ?
N3 O5 1.347(10) . ?
N3 C25 1.374(14) . ?
N3 C36 1.411(13) . ?
N4 C37 1.323(18) . ?
N4 C39 1.456(18) . ?
N4 C38 1.465(18) . ?
O1 Dy01 2.447(6) 2_666 ?
O2 C24 1.251(11) . ?
O2 Dy01 2.509(6) 2_666 ?
O3 C13 1.234(12) . ?
O4 C25 1.242(13) . ?
O6 C36 1.218(13) . ?
O8 C1 1.240(13) . ?
O9 C12 1.215(13) . ?
O10 C37 1.210(18) . ?
O11 H11 0.8400 . ?
O11 H11A 0.960(10) . ?
C1 C2 1.451(14) . ?
C2 C3 1.388(15) . ?
C2 C11 1.433(16) . ?
C3 C4 1.408(14) . ?
C3 H3 0.9500 . ?
C4 C5 1.374(16) . ?
C4 H4 0.9500 . ?
C5 C6 1.406(17) . ?
C5 H5 0.9500 . ?
C6 C7 1.404(18) . ?
C6 C11 1.434(14) . ?
C7 C8 1.33(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.447(17) . ?
C8 H8 0.9500 . ?
C9 C10 1.360(16) . ?
C9 H9 0.9500 . ?
C10 C11 1.420(16) . ?
C10 C12 1.495(13) . ?
C13 C14 1.475(13) . ?
C14 C15 1.379(15) . ?
C14 C19 1.407(15) . ?
C15 C16 1.390(15) . ?
C15 H15 0.9500 . ?
C16 C17 1.370(17) . ?
C16 H16 0.9500 . ?
C17 C18 1.427(16) . ?
C17 H17 0.9500 . ?
C18 C19 1.430(14) . ?
C18 C20 1.435(16) . ?
C19 C23 1.406(14) . ?
C20 C21 1.360(18) . ?
C20 H20 0.9500 . ?
C21 C22 1.416(15) . ?
C21 H21 0.9500 . ?
C22 C23 1.372(14) . ?
C22 H22 0.9500 . ?
C23 C24 1.476(13) . ?
C25 C26 1.483(15) . ?
C26 C27 1.389(18) . ?
C26 C31 1.403(17) . ?
C27 C28 1.410(19) . ?
C27 H27 0.9500 . ?
C28 C29 1.38(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.43(2) . ?
C29 H29 0.9500 . ?
C30 C35 1.40(2) . ?
C30 C31 1.435(15) . ?
C31 C32 1.410(17) . ?
C32 C33 1.397(16) . ?
C32 C36 1.470(15) . ?
C33 C34 1.395(18) . ?
C33 H33 0.9500 . ?
C34 C35 1.39(2) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C37 H37 0.9500 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
