#------------------------------------------------------------------------------
#$Date: 2020-03-05 01:32:40 +0200 (Thu, 05 Mar 2020) $
#$Revision: 248807 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/58/7125873.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_7125873
loop_
_publ_author_name
'Zhong, Li'
'Chen, Wen-Bin'
'OuYang, Zhi-Jian'
'Yang, Meng'
'Zhang, Yi-Quan'
'Gao, Song'
'Schulze, Michael'
'Wernsdorfer, Wolfgang'
'Dong, Wen'
_publ_section_title
;
 Unprecedented one-dimensional chain and two-dimensional network
 dysprosium(iii) single-molecule toroics with white-light emission.
;
_journal_issue                   17
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2590
_journal_page_last               2593
_journal_paper_doi               10.1039/c9cc08852k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C32 H33 Dy3 O21'
_chemical_formula_sum            'C34 H34 Dy3 O22'
_chemical_formula_weight         1282.11
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2019-05-04
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-09-17 deposited with the CCDC.	2020-01-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.5380(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.2940(2)
_cell_length_b                   18.1452(2)
_cell_length_c                   22.5707(2)
_cell_measurement_reflns_used    19867
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      76.2310
_cell_measurement_theta_min      3.0730
_cell_volume                     9585.98(16)
_computing_cell_refinement       'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -23.00  28.00   0.50    4.00    --  -46.62  19.00 -60.00  102
  2  ω    -24.00  29.00   0.50    4.00    --  -46.62  19.00-150.00  106
  3  ω    -92.00 -47.00   0.50    4.00    --  -46.62 118.00 -79.00   90
  4  ω    -95.00 -70.00   0.50   12.00    -- -102.00 118.00 -79.00   50
  5  ω    -96.00 -70.00   0.50    4.00    --  -46.62 158.00  74.00   52
  6  ω   -138.00-112.00   0.50   12.00    -- -102.00 158.00  74.00   52
  7  ω    -62.00 -29.00   0.50   12.00    -- -102.00  61.00 150.00   66
  8  ω    -68.00 -29.00   0.50   12.00    -- -102.00  61.00 120.00   78
  9  ω   -119.00 -71.00   0.50    4.00    --  -46.62-125.00 -60.00   96
 10  ω   -105.00 -49.00   0.50    4.00    --  -46.62-158.00  40.00  112
 11  ω     55.00 102.00   0.50    4.00    --   46.62 158.00  74.00   94
 12  ω     95.00 173.00   0.50   12.00    --  106.69 118.00 -79.00  156
 13  ω    141.00 167.00   0.50   12.00    --  106.69  45.00   0.00   52
 14  ω    130.00 177.00   0.50   12.00    --  106.69  30.00 -90.00   94
 15  ω    104.00 129.00   0.50   12.00    --  106.69  45.00   0.00   50
 16  ω     92.00 118.00   0.50   12.00    --  106.69  30.00 -90.00   52
 17  ω     71.00  96.00   0.50   12.00    --  106.69 -77.00-180.00   50
 18  ω     53.00 108.00   0.50   12.00    --  106.69 -94.00-150.00  110
 19  ω     49.00  74.00   0.50   12.00    --  106.69-118.00-166.00   50
 20  ω     35.00  65.00   0.50   12.00    --  106.69 -77.00-180.00   60
 21  ω     37.00  73.00   0.50   12.00    --  106.69 -61.00-120.00   72
 22  ω     39.00  73.00   0.50   12.00    --  106.69 -61.00 -30.00   68
 23  ω     45.00 102.00   0.50   12.00    --  106.69 -77.00  30.00  114
 24  ω     37.00 135.00   0.50   12.00    --  106.69-158.00  40.00  196
 25  ω   -119.00 -94.00   0.50    4.00    --  -46.62-125.00-120.00   50
 26  ω   -150.00-125.00   0.50   12.00    -- -102.00-118.00-166.00   50
 27  ω   -171.00 -87.00   0.50   12.00    -- -102.00 -30.00  30.00  168
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0392863000
_diffrn_orient_matrix_UB_12      -0.0456486000
_diffrn_orient_matrix_UB_13      -0.0520274000
_diffrn_orient_matrix_UB_21      0.0322024000
_diffrn_orient_matrix_UB_22      -0.0706436000
_diffrn_orient_matrix_UB_23      0.0270335000
_diffrn_orient_matrix_UB_31      -0.0418588000
_diffrn_orient_matrix_UB_32      -0.0115334000
_diffrn_orient_matrix_UB_33      0.0397712000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0605
_diffrn_reflns_av_unetI/netI     0.0458
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            35482
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.928
_diffrn_reflns_theta_min         3.082
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    25.276
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.29451
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.25a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.777
_exptl_crystal_description       block
_exptl_crystal_F_000             4896
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.754
_refine_diff_density_min         -2.070
_refine_diff_density_rms         0.194
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     513
_refine_ls_number_reflns         9712
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0528
_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)+(0.0955P)²+56.7583P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1514
_refine_ls_wR_factor_ref         0.1551
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8480
_reflns_number_total             9712
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc08852k2.cif
_cod_data_source_block           exp_146_sq
_cod_depositor_comments
'Adding full bibliography for 7125873--7125874.cif.'
_cod_original_cell_volume        9585.97(16)
_cod_database_code               7125873
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'Dy C H O'
_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   0.312
_shelx_estimated_absorpt_t_min   0.167
_reflns_odcompleteness_completeness 99.57
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H18 of O18, H17 of O17
 At 1.5 times of:
  All C(H,H,H) groups, H15 of O15, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O16) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Riding coordinates:
 O17(H17), O18(H18)
3.b Rotating group:
 O19(H19A,H19B), O20(H20A,H20B), O21(H21A,H21B)
3.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C12(H12), C13(H13), C14(H14), C20(H20), C21(H21),
 C22(H22), C28(H28), C29(H29), C30(H30)
3.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C16(H16A,H16B,H16C), C24(H24A,H24B,H24C), C32(H32A,H32B,H32C)
3.e Idealised tetrahedral OH refined as rotating group:
 O15(H15)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.646
_oxdiff_exptl_absorpt_empirical_full_min 0.286
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Dy1 Dy 0.33282(2) 0.69935(2) 0.43785(2) 0.01751(11) Uani 1 1 d . .
Dy2 Dy 0.43933(2) 0.83336(2) 0.44357(2) 0.02224(12) Uani 1 1 d . .
Dy3 Dy 0.47460(2) 0.64349(2) 0.44654(2) 0.02004(11) Uani 1 1 d . .
O1 O 0.17717(17) 0.8121(2) 0.4625(2) 0.0225(9) Uani 1 1 d . .
O2 O 0.24281(17) 0.7491(2) 0.4310(2) 0.0221(9) Uani 1 1 d . .
O3 O 0.34161(18) 0.8247(2) 0.4358(2) 0.0223(9) Uani 1 1 d . .
O4 O 0.38543(19) 0.9496(3) 0.4165(2) 0.0280(10) Uani 1 1 d . .
O5 O 0.5849(2) 0.9736(3) 0.4397(3) 0.0335(11) Uani 1 1 d . .
O6 O 0.5136(2) 0.9110(3) 0.4586(3) 0.0454(16) Uani 1 1 d . .
O7 O 0.51857(17) 0.7596(3) 0.4531(2) 0.0246(9) Uani 1 1 d . .
O8 O 0.5790(2) 0.6452(2) 0.4477(3) 0.0295(11) Uani 1 1 d . .
O9 O 0.48400(18) 0.3992(2) 0.4541(2) 0.0241(9) Uani 1 1 d . .
O10 O 0.48506(19) 0.5187(2) 0.4334(2) 0.0257(10) Uani 1 1 d . .
O11 O 0.38607(18) 0.5916(2) 0.4417(2) 0.0225(9) Uani 1 1 d . .
O12 O 0.27586(18) 0.5828(2) 0.4234(2) 0.0244(9) Uani 1 1 d . .
O13 O 0.3426(3) 0.6993(4) 0.2714(3) 0.0571(18) Uani 1 1 d . .
O14 O 0.2835(2) 0.6938(3) 0.3330(2) 0.0324(11) Uani 1 1 d . .
O15 O 0.1767(3) 0.7069(5) 0.2858(4) 0.066(2) Uani 1 1 d . .
H15 H 0.2047 0.7215 0.3124 0.099 Uiso 1 1 calc GR .
O16 O 0.0923(3) 0.7120(5) 0.1852(4) 0.077(2) Uani 1 1 d . U
O17 O 0.40530(17) 0.7246(2) 0.3899(2) 0.0199(8) Uani 1 1 d . .
H17 H 0.3975 0.7244 0.3509 0.024 Uiso 1 1 d R .
O18 O 0.42751(17) 0.7251(2) 0.50020(19) 0.0185(8) Uani 1 1 d . .
H18 H 0.4354 0.7254 0.5392 0.022 Uiso 1 1 d R .
O19 O 0.4415(2) 0.8856(3) 0.5401(2) 0.0303(10) Uani 1 1 d . .
H19A H 0.4192 0.8608 0.5588 0.045 Uiso 1 1 d GR .
H19B H 0.4258 0.9304 0.5359 0.045 Uiso 1 1 d GR .
O20 O 0.4382(4) 0.8596(3) 0.3412(3) 0.060(2) Uani 1 1 d . .
H20A H 0.4341 0.9111 0.3189 0.090 Uiso 1 1 d GR .
H20B H 0.4420 0.8227 0.3065 0.090 Uiso 1 1 d GR .
O21 O 0.4786(3) 0.6278(3) 0.3435(3) 0.0542(17) Uani 1 1 d . .
H21A H 0.5056 0.5986 0.3285 0.081 Uiso 1 1 d GR .
H21B H 0.4535 0.6490 0.3066 0.081 Uiso 1 1 d GR .
C1 C 0.2507(3) 0.8795(4) 0.4360(3) 0.0228(13) Uani 1 1 d . .
C2 C 0.3075(3) 0.8832(3) 0.4304(3) 0.0205(12) Uani 1 1 d . .
C3 C 0.3299(3) 0.9519(4) 0.4211(3) 0.0246(13) Uani 1 1 d . .
C4 C 0.2982(3) 1.0158(4) 0.4159(4) 0.0331(16) Uani 1 1 d . .
H4 H 0.3137 1.0607 0.4088 0.040 Uiso 1 1 calc R .
C5 C 0.2420(3) 1.0120(4) 0.4216(4) 0.042(2) Uani 1 1 d . .
H5 H 0.2204 1.0548 0.4188 0.050 Uiso 1 1 calc R .
C6 C 0.2189(3) 0.9451(4) 0.4312(4) 0.0329(16) Uani 1 1 d . .
H6 H 0.1816 0.9434 0.4346 0.039 Uiso 1 1 calc R .
C7 C 0.2226(3) 0.8088(4) 0.4444(3) 0.0222(13) Uani 1 1 d . .
C8 C 0.4084(3) 1.0161(4) 0.3980(4) 0.0358(17) Uani 1 1 d . .
H8A H 0.4475 1.0081 0.3980 0.054 Uiso 1 1 calc GR .
H8B H 0.4065 1.0551 0.4261 0.054 Uiso 1 1 calc GR .
H8C H 0.3866 1.0296 0.3573 0.054 Uiso 1 1 calc GR .
C9 C 0.5956(3) 0.8446(4) 0.4501(3) 0.0247(13) Uani 1 1 d . .
C10 C 0.5718(3) 0.7742(4) 0.4512(3) 0.0226(12) Uani 1 1 d . .
C11 C 0.6070(3) 0.7123(4) 0.4491(3) 0.0255(13) Uani 1 1 d . .
C12 C 0.6626(3) 0.7198(4) 0.4478(4) 0.0338(16) Uani 1 1 d . .
H12 H 0.6850 0.6783 0.4473 0.041 Uiso 1 1 calc R .
C13 C 0.6856(3) 0.7904(4) 0.4474(4) 0.0377(18) Uani 1 1 d . .
H13 H 0.7232 0.7961 0.4459 0.045 Uiso 1 1 calc R .
C14 C 0.6527(3) 0.8506(4) 0.4492(4) 0.0309(15) Uani 1 1 d . .
H14 H 0.6687 0.8972 0.4498 0.037 Uiso 1 1 calc R .
C15 C 0.5625(3) 0.9145(4) 0.4492(3) 0.0249(13) Uani 1 1 d . .
C16 C 0.6103(3) 0.5806(4) 0.4377(4) 0.0384(19) Uani 1 1 d . .
H16A H 0.5881 0.5372 0.4392 0.058 Uiso 1 1 calc GR .
H16B H 0.6458 0.5777 0.4691 0.058 Uiso 1 1 calc GR .
H16C H 0.6178 0.5839 0.3981 0.058 Uiso 1 1 calc GR .
C17 C 0.3951(3) 0.4610(4) 0.4232(3) 0.0241(13) Uani 1 1 d . .
C18 C 0.3632(3) 0.5250(4) 0.4269(3) 0.0213(12) Uani 1 1 d . .
C19 C 0.3032(3) 0.5173(4) 0.4158(3) 0.0248(13) Uani 1 1 d . .
C20 C 0.2757(3) 0.4518(4) 0.3997(3) 0.0285(14) Uani 1 1 d . .
H20 H 0.2362 0.4489 0.3925 0.034 Uiso 1 1 calc R .
C21 C 0.3076(3) 0.3885(4) 0.3941(4) 0.0327(15) Uani 1 1 d . .
H21 H 0.2892 0.3438 0.3820 0.039 Uiso 1 1 calc R .
C22 C 0.3662(3) 0.3933(4) 0.4068(3) 0.0279(14) Uani 1 1 d . .
H22 H 0.3873 0.3511 0.4045 0.033 Uiso 1 1 calc R .
C23 C 0.4584(3) 0.4601(4) 0.4378(3) 0.0225(13) Uani 1 1 d . .
C24 C 0.2144(3) 0.5785(4) 0.4128(4) 0.0312(16) Uani 1 1 d . .
H24A H 0.1996 0.6266 0.4174 0.047 Uiso 1 1 calc GR .
H24B H 0.2055 0.5454 0.4421 0.047 Uiso 1 1 calc GR .
H24C H 0.1975 0.5606 0.3720 0.047 Uiso 1 1 calc GR .
C25 C 0.2431(4) 0.6988(4) 0.2246(4) 0.0419(19) Uani 1 1 d . .
C26 C 0.1899(5) 0.7029(5) 0.2303(4) 0.052(2) Uani 1 1 d . .
C27 C 0.1434(5) 0.7055(5) 0.1728(6) 0.062(3) Uani 1 1 d . .
C28 C 0.1588(5) 0.7027(4) 0.1188(4) 0.050(2) Uani 1 1 d . .
H28 H 0.1297 0.7044 0.0824 0.060 Uiso 1 1 calc R .
C29 C 0.2111(5) 0.6979(5) 0.1143(5) 0.055(2) Uani 1 1 d . .
H29 H 0.2186 0.6957 0.0760 0.066 Uiso 1 1 calc R .
C30 C 0.2533(5) 0.6961(4) 0.1656(4) 0.056(3) Uani 1 1 d . .
H30 H 0.2908 0.6930 0.1628 0.067 Uiso 1 1 calc R .
C31 C 0.2939(4) 0.6969(5) 0.2801(4) 0.0382(18) Uani 1 1 d . .
C32 C 0.0445(5) 0.7140(8) 0.1303(6) 0.079(4) Uani 1 1 d . .
H32A H 0.0452 0.6707 0.1061 0.119 Uiso 1 1 calc GR .
H32B H 0.0474 0.7570 0.1066 0.119 Uiso 1 1 calc GR .
H32C H 0.0093 0.7155 0.1420 0.119 Uiso 1 1 calc GR .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
Dy2 Dy1 Dy3 60.189(9) . .
O1 Dy1 Dy2 106.89(11) 7_566 .
O1 Dy1 Dy3 105.75(10) 7_566 .
O1 Dy1 O12 81.58(16) 7_566 .
O1 Dy1 O14 144.02(16) 7_566 .
O1 Dy1 O17 138.26(15) 7_566 .
O1 Dy1 O18 77.47(14) 7_566 .
O2 Dy1 Dy2 113.63(11) . .
O2 Dy1 Dy3 173.79(11) . .
O2 Dy1 O1 76.14(15) . 7_566
O2 Dy1 O11 145.86(15) . .
O2 Dy1 O12 80.95(14) . .
O2 Dy1 O14 74.57(16) . .
O2 Dy1 O17 134.44(15) . .
O2 Dy1 O18 134.25(15) . .
O3 Dy1 Dy2 40.84(10) . .
O3 Dy1 Dy3 101.01(10) . .
O3 Dy1 O1 98.17(16) . 7_566
O3 Dy1 O2 72.80(15) . .
O3 Dy1 O11 141.32(15) . .
O3 Dy1 O12 152.91(15) . .
O3 Dy1 O14 92.71(17) . .
O3 Dy1 O17 73.18(15) . .
O3 Dy1 O18 74.81(15) . .
O11 Dy1 Dy2 100.51(10) . .
O11 Dy1 Dy3 40.32(10) . .
O11 Dy1 O1 95.13(15) . 7_566
O11 Dy1 O12 65.04(14) . .
O11 Dy1 O14 97.45(17) . .
O11 Dy1 O17 72.76(15) . .
O11 Dy1 O18 72.93(15) . .
O12 Dy1 Dy2 164.29(10) . .
O12 Dy1 Dy3 105.13(10) . .
O14 Dy1 Dy2 103.73(13) . .
O14 Dy1 Dy3 105.62(12) . .
O14 Dy1 O12 73.61(17) . .
O14 Dy1 O18 138.49(16) . .
O17 Dy1 Dy2 41.26(11) . .
O17 Dy1 Dy3 40.81(10) . .
O17 Dy1 O12 124.26(15) . .
O17 Dy1 O14 77.72(16) . .
O17 Dy1 O18 60.80(14) . .
O18 Dy1 Dy2 42.75(10) . .
O18 Dy1 Dy3 42.15(9) . .
O18 Dy1 O12 130.64(14) . .
Dy1 Dy2 Dy3 60.148(9) . .
O3 Dy2 Dy1 39.75(11) . .
O3 Dy2 Dy3 99.88(11) . .
O3 Dy2 O4 65.08(15) . .
O3 Dy2 O17 72.23(15) . .
O3 Dy2 O18 73.83(15) . .
O3 Dy2 O19 82.37(16) . .
O3 Dy2 O20 101.3(2) . .
O4 Dy2 Dy1 104.14(10) . .
O4 Dy2 Dy3 160.58(12) . .
O6 Dy2 Dy1 172.42(18) . .
O6 Dy2 Dy3 115.28(13) . .
O6 Dy2 O3 144.39(17) . .
O6 Dy2 O4 81.52(17) . .
O6 Dy2 O7 74.53(18) . .
O6 Dy2 O17 139.84(18) . .
O6 Dy2 O18 129.8(2) . .
O6 Dy2 O19 77.9(2) . .
O6 Dy2 O20 79.5(3) . .
O7 Dy2 Dy1 100.88(11) . .
O7 Dy2 Dy3 40.81(11) . .
O7 Dy2 O3 140.63(16) . .
O7 Dy2 O4 153.13(15) . .
O7 Dy2 O17 74.34(15) . .
O7 Dy2 O18 72.02(15) . .
O7 Dy2 O19 109.56(17) . .
O7 Dy2 O20 89.9(2) . .
O17 Dy2 Dy1 41.24(10) . .
O17 Dy2 Dy3 40.79(10) . .
O17 Dy2 O4 120.00(16) . .
O17 Dy2 O18 60.74(14) . .
O17 Dy2 O19 136.93(16) . .
O17 Dy2 O20 75.73(19) . .
O18 Dy2 Dy1 42.68(10) . .
O18 Dy2 Dy3 42.13(9) . .
O18 Dy2 O4 134.29(14) . .
O19 Dy2 Dy1 98.34(12) . .
O19 Dy2 Dy3 115.25(12) . .
O19 Dy2 O4 76.40(18) . .
O19 Dy2 O18 79.27(16) . .
O20 Dy2 Dy1 106.74(18) . .
O20 Dy2 Dy3 98.87(15) . .
O20 Dy2 O4 73.7(2) . .
O20 Dy2 O18 135.77(18) . .
O20 Dy2 O19 144.68(19) . .
Dy1 Dy3 Dy2 59.662(9) . .
O7 Dy3 Dy1 99.54(10) . .
O7 Dy3 Dy2 39.95(10) . .
O7 Dy3 O8 63.29(14) . .
O7 Dy3 O18 71.54(14) . .
O7 Dy3 O21 91.9(2) . .
O8 Dy3 Dy1 162.50(10) . .
O8 Dy3 Dy2 103.00(10) . .
O9 Dy3 Dy1 108.09(10) 5_666 .
O9 Dy3 Dy2 112.39(11) 5_666 .
O9 Dy3 O7 99.53(17) 5_666 .
O9 Dy3 O8 79.69(16) 5_666 .
O9 Dy3 O17 142.74(14) 5_666 .
O9 Dy3 O18 81.95(14) 5_666 .
O9 Dy3 O21 141.56(19) 5_666 .
O10 Dy3 Dy1 114.35(11) . .
O10 Dy3 Dy2 170.28(12) . .
O10 Dy3 O7 145.57(15) . .
O10 Dy3 O8 82.46(15) . .
O10 Dy3 O9 76.31(16) . 5_666
O10 Dy3 O11 74.25(15) . .
O10 Dy3 O17 129.42(16) . .
O10 Dy3 O18 139.25(15) . .
O10 Dy3 O21 73.8(2) . .
O11 Dy3 Dy1 40.52(11) . .
O11 Dy3 Dy2 100.18(11) . .
O11 Dy3 O7 140.00(15) . .
O11 Dy3 O8 156.69(15) . .
O11 Dy3 O9 93.78(16) . 5_666
O11 Dy3 O17 73.01(15) . .
O11 Dy3 O18 73.28(14) . .
O11 Dy3 O21 100.7(2) . .
O17 Dy3 Dy1 40.89(10) . .
O17 Dy3 Dy2 40.89(11) . .
O17 Dy3 O7 73.68(15) . .
O17 Dy3 O8 124.79(15) . .
O17 Dy3 O18 60.99(14) . .
O17 Dy3 O21 75.69(19) . .
O18 Dy3 Dy1 42.35(10) . .
O18 Dy3 Dy2 42.40(10) . .
O18 Dy3 O8 127.00(15) . .
O21 Dy3 Dy1 105.95(18) . .
O21 Dy3 Dy2 99.89(15) . .
O21 Dy3 O8 73.0(2) . .
O21 Dy3 O18 136.29(18) . .
C7 O1 Dy1 128.8(4) . 7_566
C7 O2 Dy1 137.4(4) . .
Dy1 O3 Dy2 99.41(16) . .
C2 O3 Dy1 137.4(4) . .
C2 O3 Dy2 123.2(4) . .
C3 O4 Dy2 118.1(4) . .
C3 O4 C8 117.3(5) . .
C8 O4 Dy2 124.5(4) . .
C15 O6 Dy2 139.5(5) . .
Dy2 O7 Dy3 99.24(15) . .
C10 O7 Dy2 132.4(4) . .
C10 O7 Dy3 127.2(4) . .
C11 O8 Dy3 119.6(4) . .
C11 O8 C16 116.0(5) . .
C16 O8 Dy3 123.8(4) . .
C23 O9 Dy3 128.2(4) . 5_666
C23 O10 Dy3 137.7(4) . .
Dy3 O11 Dy1 99.17(16) . .
C18 O11 Dy1 124.0(4) . .
C18 O11 Dy3 134.2(4) . .
C19 O12 Dy1 118.2(4) . .
C19 O12 C24 115.9(5) . .
C24 O12 Dy1 125.2(4) . .
C31 O14 Dy1 139.4(5) . .
C27 O16 C32 113.2(11) . .
Dy1 O17 Dy2 97.51(15) . .
Dy3 O17 Dy1 98.30(16) . .
Dy3 O17 Dy2 98.32(16) . .
Dy1 O18 Dy2 94.56(15) . .
Dy3 O18 Dy1 95.50(15) . .
Dy3 O18 Dy2 95.48(14) . .
C2 C1 C7 122.7(6) . .
C6 C1 C2 118.7(6) . .
C6 C1 C7 118.5(6) . .
O3 C2 C1 123.3(6) . .
O3 C2 C3 117.8(6) . .
C3 C2 C1 118.8(6) . .
O4 C3 C2 114.3(6) . .
C4 C3 O4 123.7(6) . .
C4 C3 C2 122.0(6) . .
C3 C4 C5 119.0(7) . .
C6 C5 C4 120.3(7) . .
C5 C6 C1 121.2(6) . .
O1 C7 C1 117.7(6) . .
O2 C7 O1 122.9(6) . .
O2 C7 C1 119.4(6) . .
C10 C9 C15 123.2(6) . .
C14 C9 C10 119.0(6) . .
C14 C9 C15 117.8(6) . .
O7 C10 C9 126.1(6) . .
O7 C10 C11 116.2(6) . .
C9 C10 C11 117.7(6) . .
O8 C11 C10 113.5(5) . .
C12 C11 O8 124.5(6) . .
C12 C11 C10 121.9(6) . .
C11 C12 C13 119.3(7) . .
C14 C13 C12 119.8(6) . .
C13 C14 C9 122.1(7) . .
O5 C15 O6 123.0(6) . .
O5 C15 C9 118.1(6) . .
O6 C15 C9 118.8(6) . .
C18 C17 C22 119.2(6) . .
C18 C17 C23 123.3(6) . .
C22 C17 C23 117.5(6) . .
O11 C18 C17 124.2(6) . .
O11 C18 C19 118.3(6) . .
C17 C18 C19 117.5(6) . .
O12 C19 C18 113.2(6) . .
C20 C19 O12 124.0(6) . .
C20 C19 C18 122.8(6) . .
C19 C20 C21 119.4(6) . .
C22 C21 C20 119.5(6) . .
C21 C22 C17 121.5(6) . .
O9 C23 C17 118.1(6) . .
O10 C23 O9 122.2(6) . .
O10 C23 C17 119.8(6) . .
C26 C25 C30 120.7(9) . .
C26 C25 C31 121.3(8) . .
C30 C25 C31 118.0(9) . .
O15 C26 C27 119.3(10) . .
C25 C26 O15 123.9(8) . .
C25 C26 C27 116.7(10) . .
O16 C27 C26 110.5(11) . .
O16 C27 C28 132.5(11) . .
C28 C27 C26 117.0(10) . .
C29 C28 C27 125.2(10) . .
C28 C29 C30 118.5(11) . .
C29 C30 C25 121.9(12) . .
O13 C31 O14 125.2(8) . .
O13 C31 C25 117.9(7) . .
O14 C31 C25 116.9(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Dy2 3.5278(5) .
Dy1 Dy3 3.5452(5) .
Dy1 O1 2.334(5) 7_566
Dy1 O2 2.333(4) .
Dy1 O3 2.287(5) .
Dy1 O11 2.333(4) .
Dy1 O12 2.501(4) .
Dy1 O14 2.351(5) .
Dy1 O17 2.345(4) .
Dy1 O18 2.399(4) .
Dy2 Dy3 3.5467(5) .
Dy2 O3 2.338(4) .
Dy2 O4 2.471(5) .
Dy2 O6 2.242(5) .
Dy2 O7 2.307(4) .
Dy2 O17 2.347(4) .
Dy2 O18 2.402(4) .
Dy2 O19 2.363(5) .
Dy2 O20 2.353(6) .
Dy3 O7 2.348(4) .
Dy3 O8 2.529(4) .
Dy3 O9 2.331(5) 5_666
Dy3 O10 2.307(4) .
Dy3 O11 2.323(4) .
Dy3 O17 2.341(4) .
Dy3 O18 2.390(4) .
Dy3 O21 2.370(6) .
O1 Dy1 2.334(5) 7_566
O1 C7 1.279(8) .
O2 C7 1.257(8) .
O3 C2 1.331(8) .
O4 C3 1.380(8) .
O4 C8 1.439(8) .
O5 C15 1.248(8) .
O6 C15 1.262(8) .
O7 C10 1.333(7) .
O8 C11 1.390(8) .
O8 C16 1.448(8) .
O9 Dy3 2.331(5) 5_666
O9 C23 1.272(8) .
O10 C23 1.262(8) .
O11 C18 1.334(8) .
O12 C19 1.395(8) .
O12 C24 1.449(7) .
O13 C31 1.252(11) .
O14 C31 1.286(10) .
O15 C26 1.375(13) .
O16 C27 1.347(14) .
O16 C32 1.455(14) .
C1 C2 1.421(9) .
C1 C6 1.409(9) .
C1 C7 1.489(9) .
C2 C3 1.399(9) .
C3 C4 1.380(10) .
C4 C5 1.406(10) .
C5 C6 1.378(10) .
C9 C10 1.406(9) .
C9 C14 1.397(9) .
C9 C15 1.499(9) .
C10 C11 1.419(9) .
C11 C12 1.367(10) .
C12 C13 1.398(10) .
C13 C14 1.360(10) .
C17 C18 1.412(9) .
C17 C22 1.414(9) .
C17 C23 1.483(9) .
C18 C19 1.418(9) .
C19 C20 1.364(10) .
C20 C21 1.411(10) .
C21 C22 1.378(10) .
C25 C26 1.335(15) .
C25 C30 1.421(14) .
C25 C31 1.504(11) .
C26 C27 1.476(15) .
C27 C28 1.370(16) .
C28 C29 1.304(16) .
C29 C30 1.325(14) .
