#------------------------------------------------------------------------------
#$Date: 2026-02-13 00:08:17 +0100 (Fri 13 de Feb de 2026) $
#$Revision: 304319 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/00/7720073.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_7720073
loop_
_publ_author_name
'Hollauer, Henrique V. P.'
'Guedes, Guilherme P.'
'Mariano, Davor L.'
'Ghivelder, Luís'
'Mendonça, Alberto A'
'Soriano, Stéphane'
'Farias, Renan L.'
'Escobar, Lívia B L'
_publ_section_title
;
 Unveiling single-ion magnetism in lanthanide-coumarin carboxylate
 coordination polymers.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2665
_journal_page_last               2672
_journal_paper_doi               10.1039/d5dt02478a
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'C30 H19 Dy O14, 2(H2 O)'
_chemical_formula_sum            'C30 H23 Dy O16'
_chemical_formula_weight         801.98
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2025-09-11
_audit_creation_method
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_audit_update_record
;
2025-09-18 deposited with the CCDC.	2026-01-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.0270(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.3548(2)
_cell_length_b                   14.1867(4)
_cell_length_c                   31.7085(9)
_cell_measurement_reflns_used    9867
_cell_measurement_temperature    293.15
_cell_measurement_theta_max      28.69
_cell_measurement_theta_min      2.57
_cell_volume                     2856.85(15)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_diffrn_ambient_temperature      293.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_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  0.0231
_diffrn_reflns_av_unetI/netI     0.0095
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            143322
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.517
_diffrn_reflns_theta_min         2.404
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.699
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6607
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0602 before and 0.0396 after correction.
The Ratio of minimum to maximum transmission is 0.8859.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.865
_exptl_crystal_description       prism
_exptl_crystal_F_000             1588
_exptl_crystal_size_max          0.296
_exptl_crystal_size_mid          0.253
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.348
_refine_diff_density_min         -0.718
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.270
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     456
_refine_ls_number_reflns         6568
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.270
_refine_ls_R_factor_all          0.0172
_refine_ls_R_factor_gt           0.0169
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+3.2216P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0386
_refine_ls_wR_factor_ref         0.0388
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6498
_reflns_number_total             6568
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt02478a2.cif
_cod_data_source_block           mo_dycuma3_0m
_cod_database_code               7720073
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C17(H17), C26(H26), C19(H19), C23(H23), C7(H7), C6(H6), C5(H5), C9(H9),
 C28(H28), C4(H4), C24(H24), C25(H25), C14(H14), C15(H15), C16(H16)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.24687(2) 0.38635(2) 0.40721(2) 0.01770(3) Uani 1 1 d . . . . .
O4 O 0.3020(2) 0.36913(11) 0.33160(4) 0.0279(3) Uani 1 1 d . . . . .
O9 O 0.5801(2) 0.09958(10) 0.40277(5) 0.0323(3) Uani 1 1 d . . . . .
O5 O -0.1315(3) 0.65870(14) 0.28679(5) 0.0425(4) Uani 1 1 d . . . . .
O1 O 0.4025(2) 0.35786(12) 0.26702(4) 0.0302(3) Uani 1 1 d . . . . .
O13 O 0.0342(3) 0.44860(13) 0.46041(5) 0.0288(3) Uani 1 1 d . . . . .
O11 O 0.4280(3) 0.23560(11) 0.39442(6) 0.0401(4) Uani 1 1 d . . . . .
C2 C 0.4511(3) 0.37494(14) 0.30866(6) 0.0214(4) Uani 1 1 d . . . . .
O6 O 0.2886(2) 0.54651(10) 0.40123(5) 0.0294(3) Uani 1 1 d . . . . .
O10 O 0.0452(2) 0.26152(11) 0.42620(6) 0.0355(4) Uani 1 1 d . . . . .
O14 O 0.4152(3) 0.36921(16) 0.47312(5) 0.0430(5) Uani 1 1 d . . . . .
C10 C 0.7380(3) 0.41160(13) 0.36596(6) 0.0196(3) Uani 1 1 d . . . . .
O2 O 0.6060(2) 0.41407(11) 0.39386(4) 0.0264(3) Uani 1 1 d . . . . .
C11 C 0.1235(3) 0.62170(14) 0.34267(6) 0.0255(4) Uani 1 1 d . . . . .
C20 C 0.1799(3) 0.61669(15) 0.38924(6) 0.0266(4) Uani 1 1 d . . . . .
C8 C 0.7543(3) 0.39067(16) 0.24635(6) 0.0275(4) Uani 1 1 d . . . . .
C29 C 0.2513(3) 0.12309(15) 0.43681(7) 0.0272(4) Uani 1 1 d . . . . .
O3 O -0.0668(2) 0.42184(12) 0.37165(4) 0.0293(3) Uani 1 1 d . . . . .
C17 C 0.3728(5) 0.6108(2) 0.23860(8) 0.0504(7) Uani 1 1 d . . . . .
H17 H 0.508955 0.591387 0.245951 0.060 Uiso 1 1 calc R U . . .
O12 O -0.0581(3) 0.15491(12) 0.47254(6) 0.0435(4) Uani 1 1 d . . . . .
C3 C 0.5486(3) 0.36398(15) 0.23608(6) 0.0266(4) Uani 1 1 d . . . . .
C1 C 0.6672(3) 0.39814(14) 0.32037(6) 0.0208(4) Uani 1 1 d . . . . .
C26 C 0.4627(5) -0.11695(17) 0.45987(8) 0.0435(6) Uani 1 1 d . . . . .
H26 H 0.360383 -0.142483 0.476734 0.052 Uiso 1 1 calc R U . . .
C19 C 0.2702(3) 0.60696(16) 0.31393(7) 0.0300(4) Uani 1 1 d . . . . .
H19 H 0.404367 0.587509 0.322798 0.036 Uiso 1 1 calc R U . . .
O7 O 0.1224(3) 0.68218(13) 0.41159(5) 0.0471(5) Uani 1 1 d . . . . .
C30 C 0.0651(3) 0.18448(15) 0.44622(7) 0.0287(4) Uani 1 1 d . . . . .
C18 C 0.2234(4) 0.62073(17) 0.26975(7) 0.0340(5) Uani 1 1 d . . . . .
C23 C 0.7713(4) -0.04175(17) 0.40942(8) 0.0390(5) Uani 1 1 d . . . . .
H23 H 0.874682 -0.016494 0.392723 0.047 Uiso 1 1 calc R U . . .
C22 C 0.5957(3) 0.01019(15) 0.41908(7) 0.0285(4) Uani 1 1 d . . . . .
O8 O -0.2386(3) 0.65571(17) 0.35182(6) 0.0531(5) Uani 1 1 d . . . . .
C7 C 0.8979(4) 0.3971(2) 0.21374(7) 0.0407(6) Uani 1 1 d . . . . .
H7 H 1.035790 0.416293 0.219633 0.049 Uiso 1 1 calc R U . . .
C21 C 0.4168(3) 0.15842(15) 0.41072(6) 0.0273(4) Uani 1 1 d . . . . .
C6 C 0.8334(4) 0.3750(2) 0.17316(7) 0.0437(6) Uani 1 1 d . . . . .
H6 H 0.928653 0.378688 0.151620 0.052 Uiso 1 1 calc R U . . .
C5 C 0.6274(4) 0.3473(2) 0.16395(7) 0.0406(6) Uani 1 1 d . . . . .
H5 H 0.586756 0.331970 0.136334 0.049 Uiso 1 1 calc R U . . .
C27 C 0.4397(4) -0.02503(15) 0.44416(7) 0.0309(4) Uani 1 1 d . . . . .
C9 C 0.8098(3) 0.40584(16) 0.28987(6) 0.0267(4) Uani 1 1 d . . . . .
H9 H 0.948122 0.421492 0.297469 0.032 Uiso 1 1 calc R U . . .
C28 C 0.2664(4) 0.03489(16) 0.45280(7) 0.0323(5) Uani 1 1 d . . . . .
H28 H 0.161036 0.012772 0.469859 0.039 Uiso 1 1 calc R U . . .
C12 C -0.0905(4) 0.64641(17) 0.32960(7) 0.0340(5) Uani 1 1 d . . . . .
C4 C 0.4821(4) 0.34226(19) 0.19516(7) 0.0365(5) Uani 1 1 d . . . . .
H4 H 0.343481 0.324744 0.188911 0.044 Uiso 1 1 calc R U . . .
C24 C 0.7892(4) -0.13222(18) 0.42522(9) 0.0440(6) Uani 1 1 d . . . . .
H24 H 0.905686 -0.168557 0.418825 0.053 Uiso 1 1 calc R U . . .
C25 C 0.6372(5) -0.16951(18) 0.45031(9) 0.0472(6) Uani 1 1 d . . . . .
H25 H 0.652434 -0.230408 0.460845 0.057 Uiso 1 1 calc R U . . .
C13 C 0.0217(4) 0.64859(17) 0.25747(7) 0.0353(5) Uani 1 1 d . . . . .
C14 C -0.0337(5) 0.6683(2) 0.21564(8) 0.0495(7) Uani 1 1 d . . . . .
H14 H -0.169713 0.687449 0.207981 0.059 Uiso 1 1 calc R U . . .
C15 C 0.1163(6) 0.6589(2) 0.18582(8) 0.0585(8) Uani 1 1 d . . . . .
H15 H 0.081685 0.672234 0.157712 0.070 Uiso 1 1 calc R U . . .
C16 C 0.3177(6) 0.6300(3) 0.19703(9) 0.0605(8) Uani 1 1 d . . . . .
H16 H 0.417111 0.623271 0.176408 0.073 Uiso 1 1 calc R U . . .
O15 O 0.7954(3) 0.32301(13) 0.50312(5) 0.0337(4) Uani 1 1 d . . . . .
O16 O 0.2790(3) 0.40950(14) 0.55591(6) 0.0383(4) Uani 1 1 d . . . . .
H14A H 0.536(6) 0.356(2) 0.4818(10) 0.056(9) Uiso 1 1 d . . . . .
H14B H 0.366(6) 0.387(2) 0.4930(12) 0.060(10) Uiso 1 1 d . . . . .
H15A H 0.835(6) 0.272(3) 0.4930(11) 0.067(11) Uiso 1 1 d . . . . .
H15B H 0.816(5) 0.324(2) 0.5276(11) 0.053(9) Uiso 1 1 d . . . . .
H13A H -0.040(5) 0.490(2) 0.4560(9) 0.042(8) Uiso 1 1 d . . . . .
H13B H -0.039(5) 0.411(2) 0.4730(10) 0.042(8) Uiso 1 1 d . . . . .
H16A H 0.226(6) 0.378(3) 0.5744(14) 0.079(13) Uiso 1 1 d . . . . .
H16B H 0.368(7) 0.438(3) 0.5686(13) 0.090(15) Uiso 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'
Dy Dy -0.1892 4.4098 '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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-3.00 1.00 1.00 0.0850
0.00 0.00 -1.00 0.0320
0.00 0.00 1.00 0.0600
0.00 2.00 -3.00 0.0310
0.00 -2.00 3.00 0.0820
3.00 -1.00 3.00 0.1340
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
O4 Dy1 O11 70.67(5) . . ?
O13 Dy1 O4 147.11(5) . . ?
O13 Dy1 O11 136.12(6) . . ?
O6 Dy1 O4 89.82(5) . . ?
O6 Dy1 O13 76.14(6) . . ?
O6 Dy1 O11 141.96(5) . . ?
O6 Dy1 O14 97.28(7) . . ?
O6 Dy1 O2 72.90(5) . . ?
O6 Dy1 O3 81.04(5) . . ?
O10 Dy1 O4 106.41(6) . . ?
O10 Dy1 O13 76.19(6) . . ?
O10 Dy1 O11 68.92(5) . . ?
O10 Dy1 O6 149.12(5) . . ?
O10 Dy1 O14 85.78(7) . . ?
O10 Dy1 O2 136.93(5) . . ?
O10 Dy1 O3 79.33(6) . . ?
O14 Dy1 O4 142.42(6) . . ?
O14 Dy1 O13 69.82(6) . . ?
O14 Dy1 O11 81.65(7) . . ?
O14 Dy1 O2 76.27(6) . . ?
O2 Dy1 O4 70.70(5) . . ?
O2 Dy1 O13 129.99(5) . . ?
O2 Dy1 O11 69.92(5) . . ?
O3 Dy1 O4 72.22(5) . . ?
O3 Dy1 O13 76.24(5) . . ?
O3 Dy1 O11 120.52(6) . . ?
O3 Dy1 O14 145.31(6) . . ?
O3 Dy1 O2 134.16(5) . . ?
C2 O4 Dy1 136.04(12) . . ?
C21 O9 C22 122.81(16) . . ?
C13 O5 C12 122.38(18) . . ?
C2 O1 C3 122.81(15) . . ?
Dy1 O13 H13A 121(2) . . ?
Dy1 O13 H13B 117(2) . . ?
H13A O13 H13B 104(3) . . ?
C21 O11 Dy1 132.56(13) . . ?
O4 C2 O1 114.27(16) . . ?
O4 C2 C1 127.82(17) . . ?
O1 C2 C1 117.90(16) . . ?
C20 O6 Dy1 137.85(14) . . ?
C30 O10 Dy1 138.99(14) . . ?
Dy1 O14 H14A 136(2) . . ?
Dy1 O14 H14B 121(3) . . ?
H14A O14 H14B 102(3) . . ?
O2 C10 O3 125.71(17) . 1_655 ?
O2 C10 C1 119.98(16) . . ?
O3 C10 C1 114.29(16) 1_655 . ?
C10 O2 Dy1 143.37(12) . . ?
C19 C11 C20 120.68(18) . . ?
C19 C11 C12 120.68(19) . . ?
C12 C11 C20 118.60(18) . . ?
O6 C20 C11 116.11(18) . . ?
O7 C20 O6 126.3(2) . . ?
O7 C20 C11 117.56(18) . . ?
C3 C8 C7 118.39(19) . . ?
C3 C8 C9 117.77(18) . . ?
C7 C8 C9 123.8(2) . . ?
C21 C29 C30 120.22(18) . . ?
C28 C29 C30 120.41(19) . . ?
C28 C29 C21 119.38(19) . . ?
C10 O3 Dy1 151.13(13) 1_455 . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 119.9(3) . . ?
O1 C3 C8 120.20(17) . . ?
O1 C3 C4 117.55(19) . . ?
C4 C3 C8 122.25(19) . . ?
C2 C1 C10 121.46(16) . . ?
C9 C1 C2 119.22(17) . . ?
C9 C1 C10 119.30(17) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 120.0(2) . . ?
C11 C19 H19 119.5 . . ?
C11 C19 C18 121.1(2) . . ?
C18 C19 H19 119.5 . . ?
O10 C30 C29 117.66(18) . . ?
O12 C30 O10 125.1(2) . . ?
O12 C30 C29 117.22(19) . . ?
C17 C18 C19 123.5(2) . . ?
C13 C18 C17 118.3(2) . . ?
C13 C18 C19 118.1(2) . . ?
C22 C23 H23 120.9 . . ?
C22 C23 C24 118.2(2) . . ?
C24 C23 H23 120.9 . . ?
O9 C22 C23 117.24(19) . . ?
O9 C22 C27 120.41(18) . . ?
C23 C22 C27 122.4(2) . . ?
C8 C7 H7 120.2 . . ?
C6 C7 C8 119.6(2) . . ?
C6 C7 H7 120.2 . . ?
O9 C21 C29 117.80(18) . . ?
O11 C21 O9 114.64(18) . . ?
O11 C21 C29 127.56(19) . . ?
C7 C6 H6 119.7 . . ?
C7 C6 C5 120.7(2) . . ?
C5 C6 H6 119.7 . . ?
C6 C5 H5 119.5 . . ?
C4 C5 C6 120.9(2) . . ?
C4 C5 H5 119.5 . . ?
C26 C27 C28 123.9(2) . . ?
C22 C27 C26 118.1(2) . . ?
C22 C27 C28 117.93(19) . . ?
C8 C9 H9 119.0 . . ?
C1 C9 C8 121.98(18) . . ?
C1 C9 H9 119.0 . . ?
C29 C28 C27 121.7(2) . . ?
C29 C28 H28 119.2 . . ?
C27 C28 H28 119.2 . . ?
O5 C12 C11 116.93(19) . . ?
O8 C12 O5 115.9(2) . . ?
O8 C12 C11 127.2(2) . . ?
C3 C4 H4 120.9 . . ?
C5 C4 C3 118.1(2) . . ?
C5 C4 H4 120.9 . . ?
C23 C24 H24 119.5 . . ?
C25 C24 C23 121.0(2) . . ?
C25 C24 H24 119.5 . . ?
C26 C25 C24 120.3(2) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
O5 C13 C18 120.6(2) . . ?
O5 C13 C14 117.5(2) . . ?
C18 C13 C14 121.8(2) . . ?
C13 C14 H14 120.7 . . ?
C15 C14 C13 118.6(3) . . ?
C15 C14 H14 120.7 . . ?
C14 C15 H15 119.6 . . ?
C14 C15 C16 120.8(3) . . ?
C16 C15 H15 119.6 . . ?
C17 C16 C15 120.5(3) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
H15A O15 H15B 111(3) . . ?
H16A O16 H16B 102(4) . . ?
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 O4 2.4474(14) . ?
Dy1 O13 2.3694(14) . ?
Dy1 O11 2.4691(15) . ?
Dy1 O6 2.2962(15) . ?
Dy1 O10 2.2794(15) . ?
Dy1 O14 2.3265(16) . ?
Dy1 O2 2.3687(13) . ?
Dy1 O3 2.3106(13) . ?
O4 C2 1.218(2) . ?
O9 C22 1.372(2) . ?
O9 C21 1.363(2) . ?
O5 C12 1.384(3) . ?
O5 C13 1.378(3) . ?
O1 C2 1.367(2) . ?
O1 C3 1.377(2) . ?
O13 H13A 0.76(3) . ?
O13 H13B 0.82(3) . ?
O11 C21 1.214(3) . ?
C2 C1 1.448(3) . ?
O6 C20 1.263(2) . ?
O10 C30 1.268(3) . ?
O14 H14A 0.83(4) . ?
O14 H14B 0.76(4) . ?
C10 O2 1.241(2) . ?
C10 O3 1.256(2) 1_655 ?
C10 C1 1.511(2) . ?
C11 C20 1.509(3) . ?
C11 C19 1.343(3) . ?
C11 C12 1.450(3) . ?
C20 O7 1.232(3) . ?
C8 C3 1.389(3) . ?
C8 C7 1.406(3) . ?
C8 C9 1.428(3) . ?
C29 C30 1.507(3) . ?
C29 C21 1.450(3) . ?
C29 C28 1.352(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.401(3) . ?
C17 C16 1.379(4) . ?
O12 C30 1.238(3) . ?
C3 C4 1.385(3) . ?
C1 C9 1.353(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.402(3) . ?
C26 C25 1.379(4) . ?
C19 H19 0.9300 . ?
C19 C18 1.435(3) . ?
C18 C13 1.384(3) . ?
C23 H23 0.9300 . ?
C23 C22 1.381(3) . ?
C23 C24 1.381(3) . ?
C22 C27 1.386(3) . ?
O8 C12 1.203(3) . ?
C7 H7 0.9300 . ?
C7 C6 1.373(3) . ?
C6 H6 0.9300 . ?
C6 C5 1.388(4) . ?
C5 H5 0.9300 . ?
C5 C4 1.379(3) . ?
C27 C28 1.425(3) . ?
C9 H9 0.9300 . ?
C28 H28 0.9300 . ?
C4 H4 0.9300 . ?
C24 H24 0.9300 . ?
C24 C25 1.379(4) . ?
C25 H25 0.9300 . ?
C13 C14 1.389(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.373(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.379(5) . ?
C16 H16 0.9300 . ?
O15 H15A 0.83(4) . ?
O15 H15B 0.78(3) . ?
O16 H16A 0.82(4) . ?
O16 H16B 0.79(5) . ?
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 O4 C2 O1 179.35(13) . . . . ?
Dy1 O4 C2 C1 -1.3(3) . . . . ?
Dy1 O11 C21 O9 -163.44(15) . . . . ?
Dy1 O11 C21 C29 17.0(4) . . . . ?
Dy1 O6 C20 C11 -68.3(3) . . . . ?
Dy1 O6 C20 O7 114.3(3) . . . . ?
Dy1 O10 C30 C29 -45.6(3) . . . . ?
Dy1 O10 C30 O12 135.4(2) . . . . ?
O4 C2 C1 C10 4.8(3) . . . . ?
O4 C2 C1 C9 -176.7(2) . . . . ?
O9 C22 C27 C26 179.7(2) . . . . ?
O9 C22 C27 C28 -0.9(3) . . . . ?
O5 C13 C14 C15 179.9(3) . . . . ?
O1 C2 C1 C10 -175.81(17) . . . . ?
O1 C2 C1 C9 2.7(3) . . . . ?
O1 C3 C4 C5 -179.5(2) . . . . ?
C2 O1 C3 C8 -1.6(3) . . . . ?
C2 O1 C3 C4 178.1(2) . . . . ?
C2 C1 C9 C8 -0.8(3) . . . . ?
C10 C1 C9 C8 177.78(19) . . . . ?
O2 C10 C1 C2 -8.7(3) . . . . ?
O2 C10 C1 C9 172.84(19) . . . . ?
C11 C19 C18 C17 176.8(3) . . . . ?
C11 C19 C18 C13 -0.8(3) . . . . ?
C20 C11 C19 C18 -173.7(2) . . . . ?
C20 C11 C12 O5 174.3(2) . . . . ?
C20 C11 C12 O8 -7.3(4) . . . . ?
C8 C3 C4 C5 0.2(4) . . . . ?
C8 C7 C6 C5 0.7(4) . . . . ?
O3 C10 O2 Dy1 -170.93(15) 1_655 . . . ?
O3 C10 C1 C2 173.05(18) 1_655 . . . ?
O3 C10 C1 C9 -5.5(3) 1_655 . . . ?
C17 C18 C13 O5 179.5(2) . . . . ?
C17 C18 C13 C14 -1.2(4) . . . . ?
C3 O1 C2 O4 177.92(19) . . . . ?
C3 O1 C2 C1 -1.5(3) . . . . ?
C3 C8 C7 C6 -1.5(4) . . . . ?
C3 C8 C9 C1 -2.3(3) . . . . ?
C1 C10 O2 Dy1 11.0(3) . . . . ?
C26 C27 C28 C29 -179.9(2) . . . . ?
C19 C11 C20 O6 -46.8(3) . . . . ?
C19 C11 C20 O7 130.9(2) . . . . ?
C19 C11 C12 O5 -3.3(3) . . . . ?
C19 C11 C12 O8 175.1(3) . . . . ?
C19 C18 C13 O5 -2.8(4) . . . . ?
C19 C18 C13 C14 176.5(2) . . . . ?
C30 C29 C21 O9 -179.20(19) . . . . ?
C30 C29 C21 O11 0.3(4) . . . . ?
C30 C29 C28 C27 179.5(2) . . . . ?
C18 C17 C16 C15 0.1(5) . . . . ?
C18 C13 C14 C15 0.5(4) . . . . ?
C23 C22 C27 C26 -0.3(4) . . . . ?
C23 C22 C27 C28 179.0(2) . . . . ?
C23 C24 C25 C26 0.5(4) . . . . ?
C22 O9 C21 O11 179.0(2) . . . . ?
C22 O9 C21 C29 -1.4(3) . . . . ?
C22 C23 C24 C25 -0.6(4) . . . . ?
C22 C27 C28 C29 0.8(3) . . . . ?
C7 C8 C3 O1 -179.2(2) . . . . ?
C7 C8 C3 C4 1.1(4) . . . . ?
C7 C8 C9 C1 -179.4(2) . . . . ?
C7 C6 C5 C4 0.7(4) . . . . ?
C21 O9 C22 C23 -178.6(2) . . . . ?
C21 O9 C22 C27 1.3(3) . . . . ?
C21 C29 C30 O10 9.3(3) . . . . ?
C21 C29 C30 O12 -171.7(2) . . . . ?
C21 C29 C28 C27 -0.9(3) . . . . ?
C6 C5 C4 C3 -1.1(4) . . . . ?
C27 C26 C25 C24 -0.2(4) . . . . ?
C9 C8 C3 O1 3.5(3) . . . . ?
C9 C8 C3 C4 -176.2(2) . . . . ?
C9 C8 C7 C6 175.6(2) . . . . ?
C28 C29 C30 O10 -171.2(2) . . . . ?
C28 C29 C30 O12 7.8(3) . . . . ?
C28 C29 C21 O9 1.2(3) . . . . ?
C28 C29 C21 O11 -179.2(2) . . . . ?
C12 O5 C13 C18 3.3(4) . . . . ?
C12 O5 C13 C14 -176.1(2) . . . . ?
C12 C11 C20 O6 135.6(2) . . . . ?
C12 C11 C20 O7 -46.7(3) . . . . ?
C12 C11 C19 C18 3.8(3) . . . . ?
C24 C23 C22 O9 -179.5(2) . . . . ?
C24 C23 C22 C27 0.6(4) . . . . ?
C25 C26 C27 C22 0.1(4) . . . . ?
C25 C26 C27 C28 -179.2(3) . . . . ?
C13 O5 C12 C11 -0.2(3) . . . . ?
C13 O5 C12 O8 -178.8(2) . . . . ?
C13 C14 C15 C16 0.4(5) . . . . ?
C14 C15 C16 C17 -0.7(5) . . . . ?
C16 C17 C18 C19 -176.7(3) . . . . ?
C16 C17 C18 C13 0.9(4) . . . . ?
