#------------------------------------------------------------------------------
#$Date: 2017-05-06 01:05:05 +0300 (Sat, 06 May 2017) $
#$Revision: 196421 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/26/7042601.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_7042601
loop_
_publ_author_name
'Boča, R'
'Stolárová, M'
'Falvello, L. R.'
'Tomás, M'
'Titiš, J'
'Černák, J'
_publ_section_title
;
 Slow magnetic relaxations in a ladder-type Dy(iii) complex and its
 dinuclear analogue.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5344
_journal_page_last               5351
_journal_paper_doi               10.1039/c7dt00069c
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C30 H36 Dy2 O24, 3.5(H2 O)'
_chemical_formula_sum            'C30 H43 Dy2 O27.5'
_chemical_formula_weight         1168.64
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-03-20 deposited with the CCDC.
2017-03-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.3718(5)
_cell_length_b                   7.9713(3)
_cell_length_c                   30.9027(12)
_cell_measurement_reflns_used    5807
_cell_measurement_temperature    173(1)
_cell_measurement_theta_max      29.3620
_cell_measurement_theta_min      3.6230
_cell_volume                     4032.9(3)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2007)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SIR 92'
_diffrn_ambient_temperature      173(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0603
_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            19610
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        27.497
_diffrn_reflns_theta_max         27.497
_diffrn_reflns_theta_min         3.463
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.775
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90267
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Multi-scan absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light blue'
_exptl_crystal_density_diffrn    1.925
_exptl_crystal_description       needle
_exptl_crystal_F_000             2300
_exptl_crystal_preparation       ', Magnetic properties'
_exptl_crystal_recrystallization_method 'from hydrothermal reaction mixture'
_exptl_crystal_size_max          0.267
_exptl_crystal_size_mid          0.039
_exptl_crystal_size_min          0.013
_refine_diff_density_max         0.873
_refine_diff_density_min         -1.284
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         4632
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0387
_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)+(0.0241P)²+3.6121P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0762
_refine_ls_wR_factor_ref         0.0822
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3520
_reflns_number_total             4632
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt00069c2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7042601--7042602.cif.'
_cod_original_formula_sum        'C30 H43 Dy2 O27.50'
_cod_database_code               7042601
_shelx_shelxl_version_number     2016/6
_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_min   0.432
_shelx_estimated_absorpt_t_max   0.953
_exptl_absorpt_special_details
; 
 The following created by CrysAlis:  
  oxdiff_exptl_absorpt_empirical_full_min           0.917
  oxdiff_exptl_absorpt_empirical_full_max           1.095
  oxdiff_exptl_absorpt_empirical_details
  Multi-scan correction (ABSPACK) includes:
  - Absorption correction using spherical harmonics
  - Frame scaling
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, 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 0.05254(2) 0.12792(3) 0.67375(2) 0.02136(8) Uani 1 1 d . . . . .
O1 O -0.0354(2) 0.3426(4) 0.69667(11) 0.0267(8) Uani 1 1 d . . . . .
O2 O -0.1532(2) 0.4837(4) 0.69502(12) 0.0325(9) Uani 1 1 d . . . . .
O3 O -0.0943(2) 0.0921(4) 0.65153(11) 0.0234(8) Uani 1 1 d . . . . .
O4 O 0.0008(2) -0.1627(4) 0.64983(12) 0.0285(8) Uani 1 1 d . . . . .
O5 O 0.1411(2) -0.0945(4) 0.68487(12) 0.0343(9) Uani 1 1 d . . . . .
O6 O 0.1879(2) -0.3532(5) 0.67658(15) 0.0458(11) Uani 1 1 d . . . . .
C1 C -0.1087(3) 0.3636(6) 0.68420(15) 0.0245(11) Uani 1 1 d . . . . .
C2 C -0.1449(3) 0.2396(6) 0.65310(16) 0.0250(11) Uani 1 1 d . . . . .
H2A H -0.200718 0.208722 0.662569 0.030 Uiso 1 1 calc R U . . .
H2B H -0.148714 0.290298 0.623922 0.030 Uiso 1 1 calc R U . . .
C3 C -0.1156(3) -0.0329(6) 0.62200(15) 0.0214(10) Uani 1 1 d . . . . .
C4 C -0.1821(3) -0.0239(6) 0.59471(16) 0.0269(11) Uani 1 1 d . . . . .
H4 H -0.217697 0.070171 0.595536 0.032 Uiso 1 1 calc R U . . .
C5 C -0.1961(3) -0.1545(6) 0.56605(17) 0.0326(13) Uani 1 1 d . . . . .
H5 H -0.240886 -0.148729 0.546535 0.039 Uiso 1 1 calc R U . . .
C6 C -0.1458(3) -0.2921(6) 0.56569(17) 0.0306(12) Uani 1 1 d . . . . .
H6 H -0.156368 -0.380973 0.545997 0.037 Uiso 1 1 calc R U . . .
C7 C -0.0802(3) -0.3034(6) 0.59344(17) 0.0293(12) Uani 1 1 d . . . . .
H7 H -0.046136 -0.399920 0.593282 0.035 Uiso 1 1 calc R U . . .
C8 C -0.0644(3) -0.1712(6) 0.62174(16) 0.0242(11) Uani 1 1 d . . . . .
C9 C 0.0597(3) -0.2948(7) 0.6475(2) 0.0365(14) Uani 1 1 d . . . . .
H9A H 0.074108 -0.317091 0.616931 0.044 Uiso 1 1 calc R U . . .
H9B H 0.036667 -0.398868 0.660039 0.044 Uiso 1 1 calc R U . . .
C10 C 0.1346(3) -0.2439(6) 0.67219(19) 0.0336(13) Uani 1 1 d . . . . .
O7 O 0.0870(3) 0.0664(4) 0.59991(12) 0.0398(10) Uani 1 1 d . . . . .
O8 O 0.0181(2) 0.3004(4) 0.60883(11) 0.0300(8) Uani 1 1 d . . . . .
C11A C 0.0545(4) 0.1983(7) 0.58552(17) 0.0325(13) Uani 0.5 1 d . . P . .
C12 C 0.0424(10) 0.208(2) 0.5362(5) 0.037(4) Uani 0.5 1 d . . P A -1
H12A H 0.096008 0.190475 0.522187 0.044 Uiso 0.5 1 calc R U P A -1
H12B H 0.006367 0.114714 0.527365 0.044 Uiso 0.5 1 calc R U P A -1
O9 O 0.0083(8) 0.361(2) 0.5197(6) 0.032(3) Uani 0.5 1 d . . P A -1
C13 C 0.0596(7) 0.4977(18) 0.5210(3) 0.029(3) Uani 0.5 1 d . . P A -1
C14 C 0.1339(7) 0.5107(15) 0.5424(4) 0.037(3) Uani 0.5 1 d . . P A -1
H14 H 0.153054 0.418342 0.559019 0.045 Uiso 0.5 1 calc R U P A -1
C15 C 0.1795(13) 0.651(3) 0.5402(5) 0.046(4) Uani 0.5 1 d . . P A -1
H15 H 0.230632 0.655778 0.554687 0.055 Uiso 0.5 1 calc R U P A -1
C16 C 0.1516(10) 0.7926(17) 0.5164(5) 0.051(4) Uani 0.5 1 d . . P A -1
H16 H 0.181976 0.894171 0.516235 0.061 Uiso 0.5 1 calc R U P A -1
C17 C 0.0801(9) 0.7793(14) 0.4937(4) 0.041(3) Uani 0.5 1 d . . P A -1
H17 H 0.062731 0.870275 0.476056 0.049 Uiso 0.5 1 calc R U P A -1
C18 C 0.0320(9) 0.6335(17) 0.4959(4) 0.032(3) Uani 0.5 1 d . . P A -1
O10 O -0.0406(9) 0.612(3) 0.4759(6) 0.037(3) Uani 0.5 1 d . . P A -1
C19 C -0.0853(10) 0.752(2) 0.4602(6) 0.042(4) Uani 0.5 1 d . . P A -1
H19A H -0.078235 0.848351 0.480190 0.050 Uiso 0.5 1 calc R U P A -1
H19B H -0.144144 0.724610 0.458878 0.050 Uiso 0.5 1 calc R U P A -1
C11B C 0.0545(4) 0.1983(7) 0.58552(17) 0.0325(13) Uani 0.5 1 d . . P . .
O11W O 0.1664(3) 0.3029(5) 0.65931(14) 0.0360(10) Uani 1 1 d D . . . .
H11A H 0.169(4) 0.407(5) 0.666(2) 0.054 Uiso 1 1 d D U . . .
H11B H 0.209(3) 0.254(7) 0.6699(19) 0.054 Uiso 1 1 d D U . . .
O12W O -0.0208(2) 0.0101(6) 0.73220(14) 0.0364(11) Uani 1 1 d . . . . .
H12C H -0.007(4) -0.037(8) 0.755(2) 0.055 Uiso 1 1 d . U . . .
H12D H -0.061(4) 0.001(9) 0.732(2) 0.055 Uiso 1 1 d . U . . .
O13W O 0.1184(3) 0.1976(5) 0.73970(14) 0.0378(11) Uani 1 1 d . . . . .
H13A H 0.137(4) 0.278(8) 0.743(2) 0.057 Uiso 1 1 d . U . . .
H13B H 0.119(5) 0.139(8) 0.756(2) 0.057 Uiso 1 1 d . U . . .
O14W O 0.1977(3) 0.4911(6) 0.75974(15) 0.0426(11) Uani 1 1 d . . . . .
H14A H 0.243(5) 0.488(8) 0.771(2) 0.064 Uiso 1 1 d . U . . .
H14B H 0.212(5) 0.524(8) 0.736(2) 0.064 Uiso 1 1 d . U . . .
O15W O -0.1643(11) 0.344(3) 0.4796(5) 0.098(6) Uani 0.5 1 d . . P . .
O16W O -0.2309(12) 0.064(2) 0.4410(8) 0.080(6) Uani 0.25 1 d . U P . .
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'
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
O5 Dy1 O1 153.87(13) . .
O5 Dy1 O12W 84.27(15) . .
O1 Dy1 O12W 75.37(14) . .
O5 Dy1 O11W 89.21(13) . .
O1 Dy1 O11W 96.32(13) . .
O12W Dy1 O11W 141.00(15) . .
O5 Dy1 O13W 76.54(14) . .
O1 Dy1 O13W 81.29(14) . .
O12W Dy1 O13W 70.57(15) . .
O11W Dy1 O13W 70.51(15) . .
O5 Dy1 O7 80.65(13) . .
O1 Dy1 O7 125.47(12) . .
O12W Dy1 O7 139.86(15) . .
O11W Dy1 O7 75.90(14) . .
O13W Dy1 O7 139.25(16) . .
O5 Dy1 O8 133.04(13) . .
O1 Dy1 O8 72.67(12) . .
O12W Dy1 O8 135.89(14) . .
O11W Dy1 O8 72.69(13) . .
O13W Dy1 O8 131.62(13) . .
O7 Dy1 O8 53.28(12) . .
O5 Dy1 O3 123.48(11) . .
O1 Dy1 O3 65.10(11) . .
O12W Dy1 O3 71.23(13) . .
O11W Dy1 O3 140.05(12) . .
O13W Dy1 O3 134.06(14) . .
O7 Dy1 O3 86.68(13) . .
O8 Dy1 O3 68.11(12) . .
O5 Dy1 O4 63.89(12) . .
O1 Dy1 O4 122.75(12) . .
O12W Dy1 O4 72.22(14) . .
O11W Dy1 O4 137.23(13) . .
O13W Dy1 O4 127.38(12) . .
O7 Dy1 O4 67.72(12) . .
O8 Dy1 O4 100.97(12) . .
O3 Dy1 O4 60.34(10) . .
C1 O1 Dy1 125.7(3) . .
C3 O3 C2 117.4(4) . .
C3 O3 Dy1 119.9(3) . .
C2 O3 Dy1 116.7(3) . .
C8 O4 C9 117.0(4) . .
C8 O4 Dy1 118.7(3) . .
C9 O4 Dy1 117.0(3) . .
C10 O5 Dy1 128.7(3) . .
O2 C1 O1 124.8(5) . .
O2 C1 C2 116.5(4) . .
O1 C1 C2 118.7(4) . .
O3 C2 C1 109.4(4) . .
O3 C2 H2A 109.8 . .
C1 C2 H2A 109.8 . .
O3 C2 H2B 109.8 . .
C1 C2 H2B 109.8 . .
H2A C2 H2B 108.2 . .
C4 C3 C8 121.0(4) . .
C4 C3 O3 124.1(4) . .
C8 C3 O3 114.9(4) . .
C3 C4 C5 118.9(5) . .
C3 C4 H4 120.6 . .
C5 C4 H4 120.6 . .
C6 C5 C4 120.4(5) . .
C6 C5 H5 119.8 . .
C4 C5 H5 119.8 . .
C5 C6 C7 121.1(5) . .
C5 C6 H6 119.5 . .
C7 C6 H6 119.5 . .
C6 C7 C8 119.1(5) . .
C6 C7 H7 120.5 . .
C8 C7 H7 120.5 . .
O4 C8 C3 115.2(4) . .
O4 C8 C7 125.2(4) . .
C3 C8 C7 119.5(5) . .
O4 C9 C10 109.1(4) . .
O4 C9 H9A 109.9 . .
C10 C9 H9A 109.9 . .
O4 C9 H9B 109.9 . .
C10 C9 H9B 109.9 . .
H9A C9 H9B 108.3 . .
O6 C10 O5 124.8(5) . .
O6 C10 C9 116.1(5) . .
O5 C10 C9 118.9(5) . .
C11A O7 Dy1 93.8(3) . .
C11A O8 Dy1 89.8(3) . .
O8 C11A O7 123.1(5) . .
O8 C11A C12 118.6(8) . .
O7 C11A C12 116.6(7) . .
O8 C11A C19 121.3(8) . 5_566
O7 C11A C19 113.3(7) . 5_566
O9 C12 C11A 116.5(13) . .
O9 C12 H12A 108.2 . .
C11A C12 H12A 108.2 . .
O9 C12 H12B 108.2 . .
C11A C12 H12B 108.2 . .
H12A C12 H12B 107.3 . .
C13 O9 C12 115.1(13) . .
O9 C13 C14 127.4(13) . .
O9 C13 C18 113.3(12) . .
C14 C13 C18 119.2(14) . .
C15 C14 C13 121.5(14) . .
C15 C14 H14 119.2 . .
C13 C14 H14 119.2 . .
C14 C15 C16 120.5(17) . .
C14 C15 H15 119.7 . .
C16 C15 H15 119.7 . .
C17 C16 C15 118.6(14) . .
C17 C16 H16 120.7 . .
C15 C16 H16 120.7 . .
C16 C17 C18 121.2(12) . .
C16 C17 H17 119.4 . .
C18 C17 H17 119.4 . .
O10 C18 C17 125.2(14) . .
O10 C18 C13 115.9(15) . .
C17 C18 C13 118.9(14) . .
C18 O10 C19 120.3(17) . .
O10 C19 C11B 110.1(13) . 5_566
O10 C19 H19A 109.6 . .
C11B C19 H19A 109.6 5_566 .
O10 C19 H19B 109.6 . .
C11B C19 H19B 109.6 5_566 .
H19A C19 H19B 108.2 . .
Dy1 O11W H11A 125(5) . .
Dy1 O11W H11B 107(4) . .
H11A O11W H11B 108(6) . .
Dy1 O12W H12C 133(5) . .
Dy1 O12W H12D 122(7) . .
H12C O12W H12D 104(8) . .
Dy1 O13W H13A 123(6) . .
Dy1 O13W H13B 119(6) . .
H13A O13W H13B 118(8) . .
H14A O14W H14B 99(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O5 2.316(3) .
Dy1 O1 2.345(3) .
Dy1 O12W 2.364(4) .
Dy1 O11W 2.370(4) .
Dy1 O13W 2.372(4) .
Dy1 O7 2.401(4) .
Dy1 O8 2.497(3) .
Dy1 O3 2.516(3) .
Dy1 O4 2.575(3) .
O1 C1 1.272(6) .
O2 C1 1.248(6) .
O3 C3 1.396(5) .
O3 C2 1.440(5) .
O4 C8 1.377(6) .
O4 C9 1.431(6) .
O5 C10 1.258(6) .
O6 C10 1.241(6) .
C1 C2 1.501(6) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.379(7) .
C3 C8 1.386(7) .
C4 C5 1.386(7) .
C4 H4 0.9500 .
C5 C6 1.372(7) .
C5 H5 0.9500 .
C6 C7 1.378(7) .
C6 H6 0.9500 .
C7 C8 1.393(7) .
C7 H7 0.9500 .
C9 C10 1.499(8) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
O7 C11A 1.260(6) .
O8 C11A 1.240(6) .
C11A C12 1.538(15) .
C11A C19 1.549(17) 5_566
C12 O9 1.43(2) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
O9 C13 1.375(18) .
C13 C14 1.388(16) .
C13 C18 1.407(18) .
C14 C15 1.35(3) .
C14 H14 0.9500 .
C15 C16 1.42(3) .
C15 H15 0.9500 .
C16 C17 1.369(19) .
C16 H16 0.9500 .
C17 C18 1.406(19) .
C17 H17 0.9500 .
C18 O10 1.352(17) .
O10 C19 1.42(3) .
C19 C11B 1.549(17) 5_566
C19 H19A 0.9900 .
C19 H19B 0.9900 .
O11W H11A 0.85(4) .
O11W H11B 0.86(4) .
O12W H12C 0.82(7) .
O12W H12D 0.66(7) .
O13W H13A 0.72(6) .
O13W H13B 0.69(6) .
O14W H14A 0.82(8) .
O14W H14B 0.82(7) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C7 H7 O8 0.95 2.65 3.576(6) 163.8 1_545
C9 H9B O1 0.99 2.63 3.618(7) 174.6 1_545
O11W H11A O6 0.85(4) 1.96(4) 2.815(5) 173(7) 1_565
O11W H11B O6 0.86(4) 1.90(5) 2.743(6) 164(6) 7_665
O12W H12C O1 0.82(7) 1.91(7) 2.731(5) 174(7) 4_546
O12W H12D O14W 0.66(7) 2.26(7) 2.911(6) 171(9) 4_546
O13W H13A O14W 0.72(6) 2.03(6) 2.746(6) 173(8) .
O13W H13B O2 0.69(6) 2.03(7) 2.702(5) 165(9) 4_546
O14W H14A O2 0.82(8) 1.99(8) 2.814(6) 174(7) 6_657
O14W H14B O6 0.82(7) 2.10(7) 2.858(6) 152(7) 1_565
C19 H19B O16W 0.99 2.47 3.41(2) 158.4 7_565
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_4
Dy1 O1 C1 O2 -176.0(3) . .
Dy1 O1 C1 C2 2.0(6) . .
C3 O3 C2 C1 -175.8(4) . .
Dy1 O3 C2 C1 -23.0(5) . .
O2 C1 C2 O3 -167.2(4) . .
O1 C1 C2 O3 14.6(6) . .
C2 O3 C3 C4 -0.5(7) . .
Dy1 O3 C3 C4 -152.3(4) . .
C2 O3 C3 C8 179.6(4) . .
Dy1 O3 C3 C8 27.7(5) . .
C8 C3 C4 C5 -1.5(7) . .
O3 C3 C4 C5 178.6(4) . .
C3 C4 C5 C6 1.6(8) . .
C4 C5 C6 C7 -0.4(8) . .
C5 C6 C7 C8 -1.0(8) . .
C9 O4 C8 C3 -173.9(4) . .
Dy1 O4 C8 C3 -24.3(5) . .
C9 O4 C8 C7 4.5(7) . .
Dy1 O4 C8 C7 154.1(4) . .
C4 C3 C8 O4 178.6(4) . .
O3 C3 C8 O4 -1.5(6) . .
C4 C3 C8 C7 0.1(7) . .
O3 C3 C8 C7 -180.0(4) . .
C6 C7 C8 O4 -177.2(5) . .
C6 C7 C8 C3 1.2(7) . .
C8 O4 C9 C10 166.5(4) . .
Dy1 O4 C9 C10 16.5(6) . .
Dy1 O5 C10 O6 174.0(4) . .
Dy1 O5 C10 C9 -2.1(7) . .
O4 C9 C10 O6 173.1(5) . .
O4 C9 C10 O5 -10.4(7) . .
Dy1 O8 C11A O7 2.3(6) . .
Dy1 O8 C11A C12 166.9(8) . .
Dy1 O8 C11A C19 -159.4(9) . 5_566
Dy1 O7 C11A O8 -2.4(6) . .
Dy1 O7 C11A C12 -167.3(8) . .
Dy1 O7 C11A C19 160.7(8) . 5_566
O8 C11A C12 O9 16.7(16) . .
O7 C11A C12 O9 -177.6(10) . .
C19 C11A C12 O9 -87(2) 5_566 .
C11A C12 O9 C13 71.6(18) . .
C12 O9 C13 C14 -11(2) . .
C12 O9 C13 C18 166.1(12) . .
O9 C13 C14 C15 178.3(16) . .
C18 C13 C14 C15 1.0(18) . .
C13 C14 C15 C16 1(2) . .
C14 C15 C16 C17 -4(2) . .
C15 C16 C17 C18 4(2) . .
C16 C17 C18 O10 177.6(16) . .
C16 C17 C18 C13 -2.0(17) . .
O9 C13 C18 O10 2.0(15) . .
C14 C13 C18 O10 179.7(14) . .
O9 C13 C18 C17 -178.4(13) . .
C14 C13 C18 C17 -0.7(16) . .
C17 C18 O10 C19 -17(3) . .
C13 C18 O10 C19 162.1(14) . .
C18 O10 C19 C11B 85(2) . 5_566
