# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_146_sq
_database_code_depnum_ccdc_archive 'CCDC 1954138'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Chen'
;Guangzhou University
China
;
_audit_update_record             
;
2019-09-17 deposited with the CCDC.	2020-01-27 downloaded from the CCDC.
;
_audit_creation_date             2019-05-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H33 Dy3 O21'
_chemical_formula_sum            'C34 H34 Dy3 O22'
_chemical_formula_weight         1282.11
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Dy C H O'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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'

_cell_length_a                   24.2940(2)
_cell_length_b                   18.1452(2)
_cell_length_c                   22.5707(2)
_cell_angle_alpha                90
_cell_angle_beta                 105.5380(10)
_cell_angle_gamma                90
_cell_volume                     9585.97(16)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    19867
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      76.2310
_cell_measurement_theta_min      3.0730
_shelx_estimated_absorpt_T_max   0.312
_shelx_estimated_absorpt_T_min   0.167
_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_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.777
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_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
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_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_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_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8480
_reflns_number_total             9712
_reflns_odcompleteness_completeness 99.57
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_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)'
_computing_structure_solution    ?
_refine_diff_density_max         2.754
_refine_diff_density_min         -2.070
_refine_diff_density_rms         0.194
_refine_ls_extinction_coef       .
_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_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0528
_refine_ls_restrained_S_all      1.122
_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
_refine_special_details          ?
_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)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.33282(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 . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 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) . ?

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
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) . . ?

_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
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_159_sq
_database_code_depnum_ccdc_archive 'CCDC 1954139'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Chen'
;Guangzhou University
China
;
_audit_update_record             
;
2019-09-17 deposited with the CCDC.	2020-01-27 downloaded from the CCDC.
;
_audit_creation_date             2019-05-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H56 Dy6 O36'
_chemical_formula_sum            'C48 H56 Dy6 O36'
_chemical_formula_weight         2183.92
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Dy C H N O'
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.0529(5)
_cell_length_b                   16.5502(5)
_cell_length_c                   19.5506(5)
_cell_angle_alpha                66.985(3)
_cell_angle_beta                 74.839(3)
_cell_angle_gamma                78.055(3)
_cell_volume                     4296.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    12148
_cell_measurement_temperature    100.00(11)
_cell_measurement_theta_max      73.9820
_cell_measurement_theta_min      2.8710
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    27.998
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.40114
_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_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.688
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1211
_diffrn_reflns_av_unetI/netI     0.1017
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            56977
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.241
_diffrn_reflns_theta_min         2.506
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(11)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -40.00  23.00   0.50    7.00    --  -46.37  39.00  14.00  126
  2  ω    -21.00  28.00   0.50    7.00    --  -46.37  19.00 150.00   98
  3  ω    -55.00 -29.00   0.50   37.00    -- -102.00 125.00  30.00   52
  4  ω    -70.00 -26.00   0.50    7.00    --  -46.37  77.00  60.00   88
  5  ω    -77.00 -34.00   0.50   37.00    -- -102.00  77.00 120.00   86
  6  ω    -55.00 -29.00   0.50   37.00    -- -102.00  61.00  90.00   52
  7  ω   -110.00 -84.00   0.50   37.00    -- -102.00 125.00  30.00   52
  8  ω   -116.00 -48.00   0.50   37.00    -- -102.00 125.00 -60.00  136
  9  ω    -62.00 -36.00   0.50   37.00    -- -102.00  61.00-120.00   52
 10  ω    -14.00  17.00   0.50    7.00    --  -46.37  19.00-180.00   62
 11  ω    -60.00 -30.00   0.50   37.00    -- -102.00 125.00-150.00   60
 12  ω   -103.00 -54.00   0.50   37.00    -- -102.00  77.00-180.00   98
 13  ω   -116.00 -82.00   0.50   37.00    -- -102.00 125.00-150.00   68
 14  ω   -174.00 -85.00   0.50   37.00    -- -102.00 -15.00 -60.00  178
 15  ω   -119.00 -33.00   0.50    7.00    --  -46.37 -39.00-139.00  172
 16  ω    -21.00  46.00   0.50    7.00    --   46.37 -39.00-139.00  134
 17  ω     90.00 116.00   0.50    7.00    --   46.37  37.00-150.00   52
 18  ω    127.00 172.00   0.50   37.00    --  106.69  77.00 -60.00   90
 19  ω    137.00 168.00   0.50   37.00    --  106.69 125.00   0.00   62
 20  ω     92.00 169.00   0.50   37.00    --  106.69  39.00  14.00  154
 21  ω    120.00 153.00   0.50   37.00    --  106.69  45.00 150.00   66
 22  ω     91.00 178.00   0.50   37.00    --  106.69  15.00 120.00  174
 23  ω     72.00 108.00   0.50   37.00    --  106.69 -94.00 -90.00   72
 24  ω     38.00 113.00   0.50   37.00    --  106.69-125.00-120.00  150
 25  ω     34.00  69.00   0.50   37.00    --  106.69 -94.00 -90.00   70
 26  ω     40.00  72.00   0.50   37.00    --  106.69 -61.00 -90.00   64
 27  ω     37.00  71.00   0.50   37.00    --  106.69 -61.00-150.00   68
 28  ω     38.00  88.00   0.50   37.00    --  106.69 -77.00 -90.00  100
 29  ω     41.00  73.00   0.50   37.00    --  106.69 -61.00   0.00   64
 30  ω     37.00  72.00   0.50   37.00    --  106.69 -61.00  30.00   70
 31  ω     47.00 105.00   0.50   37.00    --  106.69 -94.00  90.00  116
 32  ω     77.00 115.00   0.50   37.00    --  106.69-125.00  90.00   76
 33  ω     79.00 114.00   0.50   37.00    --  106.69-125.00  60.00   70
 34  ω     47.00 116.00   0.50   37.00    --  106.69-125.00  30.00  138
 35  ω     34.00  73.00   0.50   37.00    --  106.69-125.00  60.00   78
 36  ω     37.00  73.00   0.50   37.00    --  106.69-125.00  90.00   72
 37  ω     36.00  73.00   0.50   37.00    --  106.69 -61.00 120.00   74
 38  ω     29.00  85.00   0.50    7.00    --   46.37-125.00  90.00  112
 39  ω     37.00 117.00   0.50    7.00    --   46.37  39.00  14.00  160
 40  ω     77.00 114.00   0.50   37.00    --  106.69 125.00   0.00   74
 41  ω     32.00  75.00   0.50    7.00    --   46.37  37.00-150.00   86
 42  ω   -113.00 -87.00   0.50   37.00    -- -102.00 -45.00 120.00   52
 43  ω   -167.00-126.00   0.50   37.00    -- -102.00 -45.00 120.00   82
 44  ω   -175.00 -95.00   0.50   37.00    -- -102.00 -39.00-139.00  160
 45  ω   -117.00 -37.00   0.50   37.00    -- -102.00 125.00 150.00  160
;
_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      -0.0944401000
_diffrn_orient_matrix_UB_12      0.0522019000
_diffrn_orient_matrix_UB_13      0.0191252000
_diffrn_orient_matrix_UB_21      0.0448731000
_diffrn_orient_matrix_UB_22      0.0867230000
_diffrn_orient_matrix_UB_23      -0.0382425000
_diffrn_orient_matrix_UB_31      -0.0216581000
_diffrn_orient_matrix_UB_32      0.0112397000
_diffrn_orient_matrix_UB_33      -0.0762141000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10953
_reflns_number_total             17289
_reflns_odcompleteness_completeness 99.69
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_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)'
_computing_structure_solution    ?
_refine_diff_density_max         5.074
_refine_diff_density_min         -1.638
_refine_diff_density_rms         0.250
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     824
_refine_ls_number_reflns         17289
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.1256
_refine_ls_R_factor_gt           0.0962
_refine_ls_restrained_S_all      0.995
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1969P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2565
_refine_ls_wR_factor_ref         0.2846
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 C36-H40B
 2.72 with sigma of 0.02
 H40A-C36
 2.72 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O19) \\sim Ueq: with sigma of 0.0005 and sigma for terminal atoms of 0.001
4.a Riding coordinates:
 O13(H13), O14(H14), O18(H18A,H18B), O31(H31), O32(H32)
4.b Rotating group:
 O15(H15A,H15B), O16(H16A,H16B), O17(H17A,H17B), O33(H33A,H33B), O34(H34A,
 H34B), O35(H35A,H35B), O36(H36A,H36B)
4.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C12(H12), C13(H13A), C14(H14A), C20(H20), C21(H21),
 C22(H22), C28(H28), C29(H29), C30(H30), C36(H36), C37(H37), C38(H38), C44(H44),
  C45(H45), C46(H46)
4.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C16(H16C,H16D,H16E), C24(H24A,H24B,H24C), C32(H32A,H32B,
 H32C), C40(H40A,H40B,H40C), C48(H48A,H48B,H48C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.24886(5) 0.71971(6) 0.57325(5) 0.0611(2) Uani 1 1 d . . . . .
Dy2 Dy 0.41827(5) 0.86648(5) 0.49014(4) 0.0558(2) Uani 1 1 d . . . . .
Dy3 Dy 0.19170(5) 0.93630(6) 0.45038(5) 0.0585(2) Uani 1 1 d . . . . .
Dy4 Dy 0.36542(5) 0.32962(5) 0.82501(4) 0.0533(2) Uani 1 1 d . . . . .
Dy5 Dy 0.45550(5) 0.36483(5) 0.96034(4) 0.0544(2) Uani 1 1 d . . . . .
Dy6 Dy 0.21369(5) 0.37344(6) 0.98201(4) 0.0552(2) Uani 1 1 d . . . . .
O1 O 0.3598(7) 0.4648(7) 0.7292(5) 0.062(2) Uani 1 1 d . . . . .
O2 O 0.2954(7) 0.5911(8) 0.6620(7) 0.086(4) Uani 1 1 d . . . . .
O3 O 0.4012(6) 0.7225(7) 0.5736(6) 0.062(2) Uani 1 1 d . . . . .
O4 O 0.5658(6) 0.7722(7) 0.5239(6) 0.065(2) Uani 1 1 d . . . . .
O5 O 0.5710(8) 1.0961(8) 0.4102(6) 0.071(3) Uani 1 1 d . . . . .
O6 O 0.5170(6) 0.9708(7) 0.4322(6) 0.064(2) Uani 1 1 d . . . . .
O7 O 0.3330(6) 0.9923(6) 0.4238(5) 0.057(2) Uani 1 1 d . . . . .
O8 O 0.2070(8) 1.0871(9) 0.3484(7) 0.084(3) Uani 1 1 d . . . . .
O9 O -0.1140(6) 0.9848(7) 0.4723(6) 0.061(2) Uani 1 1 d . . . . .
O10 O 0.0399(7) 0.9649(7) 0.4343(6) 0.067(2) Uani 1 1 d . . . . .
O11 O 0.1229(6) 0.8078(7) 0.5225(6) 0.064(2) Uani 1 1 d . . . . .
O12 O 0.1120(6) 0.6415(7) 0.6014(6) 0.064(2) Uani 1 1 d . . . . .
O13 O 0.3098(6) 0.8185(6) 0.4525(5) 0.053(2) Uani 1 1 d . . . . .
H13 H 0.3266 0.8013 0.4148 0.064 Uiso 1 1 d R . . . .
O14 O 0.2630(6) 0.8655(7) 0.5565(5) 0.062(2) Uani 1 1 d . . . . .
H14 H 0.2463 0.8829 0.5940 0.075 Uiso 1 1 d R . . . .
O15 O 0.2979(10) 0.6290(9) 0.4974(8) 0.104(5) Uani 1 1 d . . . . .
H15A H 0.3120 0.5677 0.5250 0.157 Uiso 1 1 d GR . . . .
H15B H 0.3557 0.6407 0.4637 0.157 Uiso 1 1 d GR . . . .
O16 O 0.1641(9) 0.7351(10) 0.6873(7) 0.089(3) Uani 1 1 d . . . . .
H16A H 0.1496 0.6798 0.7284 0.134 Uiso 1 1 d GR . . . .
H16B H 0.1012 0.7652 0.6860 0.134 Uiso 1 1 d GR . . . .
O17 O 0.5009(6) 0.8341(8) 0.3823(6) 0.065(2) Uani 1 1 d . . . . .
H17A H 0.5459 0.7900 0.3938 0.098 Uiso 1 1 d GR . . . .
H17B H 0.5319 0.8785 0.3490 0.098 Uiso 1 1 d GR . . . .
O18 O 0.2038(13) 0.9190(10) 0.3338(7) 0.119(6) Uani 1 1 d . . . . .
H18A H 0.1940 0.8742 0.3271 0.179 Uiso 1 1 d R . . . .
H18B H 0.2192 0.9560 0.2893 0.179 Uiso 1 1 d R . . . .
O19 O 0.5933(17) 0.2665(17) 0.6510(14) 0.158(7) Uani 1 1 d . U . . .
O20 O 0.4757(6) 0.2927(7) 0.7350(6) 0.064(2) Uani 1 1 d . . . . .
O21 O 0.5096(6) 0.3284(6) 0.8513(5) 0.055(2) Uani 1 1 d . . . . .
O22 O 0.6267(7) 0.3311(8) 0.9240(6) 0.069(3) Uani 1 1 d . . . . .
O23 O 0.5052(7) 0.4924(7) 1.1057(5) 0.058(2) Uani 1 1 d . . . . .
O24 O 0.4953(6) 0.4005(6) 1.0504(5) 0.054(2) Uani 1 1 d . . . . .
O25 O 0.3192(6) 0.3920(7) 1.0411(5) 0.058(2) Uani 1 1 d . . . . .
O26 O 0.1465(6) 0.3971(7) 1.1043(5) 0.059(2) Uani 1 1 d . . . . .
O27 O -0.0781(7) 0.3800(8) 0.9736(6) 0.070(3) Uani 1 1 d . . . . .
O28 O 0.0625(7) 0.3883(9) 0.9806(6) 0.071(3) Uani 1 1 d . . . . .
O29 O 0.2065(6) 0.3484(7) 0.8743(5) 0.061(2) Uani 1 1 d . . . . .
O30 O 0.2600(7) 0.3196(8) 0.7500(6) 0.070(3) Uani 1 1 d . . . . .
O31 O 0.3490(7) 0.2774(7) 0.9595(5) 0.061(2) Uani 1 1 d . . . . .
H31 H 0.3521 0.2224 0.9853 0.074 Uiso 1 1 d R . . . .
O32 O 0.3425(6) 0.4310(6) 0.8864(4) 0.050(2) Uani 1 1 d . . . . .
H32 H 0.3396 0.4860 0.8606 0.060 Uiso 1 1 d R . . . .
O33 O 0.3577(10) 0.1779(9) 0.8623(8) 0.092(4) Uani 1 1 d . . . . .
H33A H 0.3780 0.1260 0.9091 0.139 Uiso 1 1 d GR . . . .
H33B H 0.3323 0.1460 0.8359 0.139 Uiso 1 1 d GR . . . .
O34 O 0.4953(9) 0.2240(9) 1.0455(8) 0.089(4) Uani 1 1 d . . . . .
H34A H 0.4531 0.1853 1.0945 0.134 Uiso 1 1 d GR . . . .
H34B H 0.5592 0.1841 1.0440 0.134 Uiso 1 1 d GR . . . .
O35 O 0.1765(10) 0.2311(9) 1.0697(8) 0.093(4) Uani 1 1 d . . . . .
H35A H 0.1154 0.2136 1.1078 0.140 Uiso 1 1 d GR . . . .
H35B H 0.2184 0.1717 1.0774 0.140 Uiso 1 1 d GR . . . .
O36 O 0.1779(7) 0.5298(7) 0.9439(5) 0.064(2) Uani 1 1 d . . . . .
H36A H 0.1630 0.5517 0.8992 0.096 Uiso 1 1 d GR . . . .
H36B H 0.2272 0.5550 0.9364 0.096 Uiso 1 1 d GR . . . .
C1 C 0.4583(10) 0.5750(11) 0.6489(8) 0.062(3) Uani 1 1 d . . . . .
C2 C 0.4690(9) 0.6623(10) 0.5979(8) 0.058(3) Uani 1 1 d . . . . .
C3 C 0.5594(9) 0.6865(10) 0.5713(7) 0.057(3) Uani 1 1 d . . . . .
C4 C 0.6367(9) 0.6262(10) 0.5898(8) 0.061(3) Uani 1 1 d . . . . .
H4 H 0.6957 0.6438 0.5689 0.073 Uiso 1 1 calc R . . . .
C5 C 0.6263(10) 0.5396(10) 0.6395(8) 0.061(3) Uani 1 1 d . . . . .
H5 H 0.6777 0.4995 0.6530 0.074 Uiso 1 1 calc R . . . .
C6 C 0.5369(9) 0.5148(10) 0.6685(8) 0.059(3) Uani 1 1 d . . . . .
H6 H 0.5289 0.4572 0.7014 0.070 Uiso 1 1 calc R . . . .
C7 C 0.3679(10) 0.5418(12) 0.6818(8) 0.066(4) Uani 1 1 d . . . . .
C8 C 0.6564(11) 0.7995(13) 0.4948(12) 0.087(5) Uani 1 1 d . . . . .
H8A H 0.6517 0.8622 0.4677 0.130 Uiso 1 1 calc GR . . . .
H8B H 0.6912 0.7696 0.4611 0.130 Uiso 1 1 calc GR . . . .
H8C H 0.6872 0.7852 0.5360 0.130 Uiso 1 1 calc GR . . . .
C9 C 0.4376(10) 1.1059(11) 0.3635(8) 0.065(4) Uani 1 1 d . . . . .
C10 C 0.3548(10) 1.0708(10) 0.3755(7) 0.060(3) Uani 1 1 d . . . . .
C11 C 0.2847(12) 1.1258(13) 0.3318(10) 0.080(5) Uani 1 1 d . . . . .
C12 C 0.3039(17) 1.2125(14) 0.2817(11) 0.103(7) Uani 1 1 d . . . . .
H12 H 0.2606 1.2476 0.2526 0.124 Uiso 1 1 calc R . . . .
C13 C 0.3822(16) 1.2466(17) 0.2740(12) 0.115(9) Uani 1 1 d . . . . .
H13A H 0.3908 1.3050 0.2439 0.138 Uiso 1 1 calc R . . . .
C14 C 0.4470(14) 1.1911(13) 0.3124(10) 0.087(5) Uani 1 1 d . . . . .
H14A H 0.5031 1.2122 0.3036 0.104 Uiso 1 1 calc R . . . .
C15 C 0.5123(11) 1.0547(11) 0.4053(8) 0.067(4) Uani 1 1 d . . . . .
C16 C 0.1396(13) 1.1369(13) 0.3033(12) 0.095(6) Uani 1 1 d . . . . .
H16C H 0.1665 1.1470 0.2508 0.142 Uiso 1 1 calc GR . . . .
H16D H 0.1196 1.1926 0.3103 0.142 Uiso 1 1 calc GR . . . .
H16E H 0.0873 1.1045 0.3184 0.142 Uiso 1 1 calc GR . . . .
C17 C -0.0394(9) 0.8385(10) 0.5194(8) 0.058(3) Uani 1 1 d . . . . .
C18 C 0.0384(9) 0.7805(10) 0.5407(7) 0.054(3) Uani 1 1 d . . . . .
C19 C 0.0340(10) 0.6941(10) 0.5824(10) 0.066(4) Uani 1 1 d . . . . .
C20 C -0.0535(10) 0.6601(12) 0.6072(9) 0.066(4) Uani 1 1 d . . . . .
H20 H -0.0578 0.6010 0.6374 0.079 Uiso 1 1 calc R . . . .
C21 C -0.1316(10) 0.7159(12) 0.5858(10) 0.077(5) Uani 1 1 d . . . . .
H21 H -0.1886 0.6942 0.6003 0.092 Uiso 1 1 calc R . . . .
C22 C -0.1240(11) 0.8044(12) 0.5425(10) 0.076(4) Uani 1 1 d . . . . .
H22 H -0.1766 0.8419 0.5285 0.091 Uiso 1 1 calc R . . . .
C23 C -0.0374(11) 0.9345(11) 0.4739(9) 0.067(4) Uani 1 1 d . . . . .
C24 C 0.1102(11) 0.5503(11) 0.6391(10) 0.071(4) Uani 1 1 d . . . . .
H24A H 0.0858 0.5271 0.6108 0.107 Uiso 1 1 calc GR . . . .
H24B H 0.0715 0.5392 0.6887 0.107 Uiso 1 1 calc GR . . . .
H24C H 0.1719 0.5222 0.6438 0.107 Uiso 1 1 calc GR . . . .
C25 C 0.6276(10) 0.2807(18) 0.7579(12) 0.099(8) Uani 1 1 d . . . . .
C26 C 0.5966(10) 0.3042(10) 0.8242(10) 0.065(4) Uani 1 1 d . . . . .
C27 C 0.6625(11) 0.3065(14) 0.8615(12) 0.083(5) Uani 1 1 d . . . . .
C28 C 0.7557(12) 0.2834(17) 0.8369(14) 0.100(7) Uani 1 1 d . . . . .
H28 H 0.7986 0.2847 0.8630 0.120 Uiso 1 1 calc R . . . .
C29 C 0.7849(13) 0.259(2) 0.7767(19) 0.134(11) Uani 1 1 d . . . . .
H29 H 0.8472 0.2396 0.7636 0.161 Uiso 1 1 calc R . . . .
C30 C 0.7207(13) 0.263(2) 0.7306(16) 0.124(10) Uani 1 1 d . . . . .
H30 H 0.7418 0.2546 0.6845 0.148 Uiso 1 1 calc R . . . .
C31 C 0.5607(12) 0.2732(16) 0.7179(12) 0.096(7) Uani 1 1 d . . . . .
C32 C 0.6925(10) 0.3284(14) 0.9692(10) 0.078(5) Uani 1 1 d . . . . .
H32A H 0.6593 0.3272 1.0187 0.116 Uiso 1 1 calc GR . . . .
H32B H 0.7247 0.3800 0.9444 0.116 Uiso 1 1 calc GR . . . .
H32C H 0.7365 0.2764 0.9740 0.116 Uiso 1 1 calc GR . . . .
C33 C 0.0426(9) 0.3602(11) 0.8738(9) 0.066(4) Uani 1 1 d . . . . .
C34 C 0.1390(10) 0.3480(10) 0.8432(8) 0.060(3) Uani 1 1 d . . . . .
C35 C 0.1665(11) 0.3305(12) 0.7739(9) 0.069(4) Uani 1 1 d . . . . .
C36 C 0.0990(9) 0.3329(13) 0.7340(10) 0.077(4) Uani 1 1 d D . . . .
H36 H 0.1166 0.3269 0.6868 0.092 Uiso 1 1 calc R . . . .
C37 C 0.0070(12) 0.3443(15) 0.7669(12) 0.087(5) Uani 1 1 d . . . . .
H37 H -0.0378 0.3417 0.7431 0.104 Uiso 1 1 calc R . . . .
C38 C -0.0211(11) 0.3595(13) 0.8349(11) 0.078(4) Uani 1 1 d . . . . .
H38 H -0.0840 0.3694 0.8544 0.093 Uiso 1 1 calc R . . . .
C39 C 0.0089(11) 0.3771(10) 0.9498(8) 0.064(3) Uani 1 1 d . . . . .
C40 C 0.2887(11) 0.3080(18) 0.6753(10) 0.099(7) Uani 1 1 d . . . . .
H40A H 0.2648 0.3594 0.6374 0.148 Uiso 1 1 calc DGR . . . .
H40B H 0.2646 0.2569 0.6785 0.148 Uiso 1 1 calc DGR . . . .
H40C H 0.3551 0.3001 0.6617 0.148 Uiso 1 1 calc GR . . . .
C41 C 0.3586(8) 0.4489(9) 1.1258(7) 0.051(3) Uani 1 1 d . . . . .
C42 C 0.2970(9) 0.4201(10) 1.0986(8) 0.055(3) Uani 1 1 d . . . . .
C43 C 0.2024(10) 0.4244(10) 1.1352(7) 0.059(3) Uani 1 1 d . . . . .
C44 C 0.1734(12) 0.4492(12) 1.1976(8) 0.070(4) Uani 1 1 d . . . . .
H44 H 0.1115 0.4494 1.2223 0.084 Uiso 1 1 calc R . . . .
C45 C 0.2377(11) 0.4744(12) 1.2239(9) 0.071(4) Uani 1 1 d . . . . .
H45 H 0.2181 0.4890 1.2673 0.086 Uiso 1 1 calc R . . . .
C46 C 0.3290(12) 0.4780(11) 1.1870(8) 0.068(4) Uani 1 1 d . . . . .
H46 H 0.3699 0.4993 1.2025 0.082 Uiso 1 1 calc R . . . .
C47 C 0.4580(10) 0.4487(10) 1.0890(7) 0.056(3) Uani 1 1 d . . . . .
C48 C 0.0517(10) 0.3903(12) 1.1443(9) 0.068(4) Uani 1 1 d . . . . .
H48A H 0.0169 0.3792 1.1148 0.102 Uiso 1 1 calc GR . . . .
H48B H 0.0253 0.4446 1.1525 0.102 Uiso 1 1 calc GR . . . .
H48C H 0.0497 0.3425 1.1923 0.102 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Dy2 3.5149(12) . ?
Dy1 Dy3 3.5258(12) . ?
Dy1 O2 2.273(11) . ?
Dy1 O3 2.305(8) . ?
Dy1 O11 2.327(9) . ?
Dy1 O12 2.486(10) . ?
Dy1 O13 2.358(9) . ?
Dy1 O14 2.353(11) . ?
Dy1 O15 2.389(13) . ?
Dy1 O16 2.341(12) . ?
Dy2 Dy3 3.5531(10) . ?
Dy2 O3 2.325(9) . ?
Dy2 O4 2.515(10) . ?
Dy2 O5 2.315(11) 2_676 ?
Dy2 O6 2.263(9) . ?
Dy2 O7 2.306(9) . ?
Dy2 O13 2.338(8) . ?
Dy2 O14 2.358(9) . ?
Dy2 O17 2.349(10) . ?
Dy3 O7 2.349(9) . ?
Dy3 O8 2.523(12) . ?
Dy3 O9 2.312(9) 2_576 ?
Dy3 O10 2.315(10) . ?
Dy3 O11 2.322(11) . ?
Dy3 O13 2.346(9) . ?
Dy3 O14 2.360(9) . ?
Dy3 O18 2.362(12) . ?
Dy4 Dy5 3.5478(10) . ?
Dy4 Dy6 3.5428(11) . ?
Dy4 O1 2.291(10) . ?
Dy4 O20 2.263(9) . ?
Dy4 O21 2.351(8) . ?
Dy4 O29 2.339(9) . ?
Dy4 O30 2.492(10) . ?
Dy4 O31 2.385(9) . ?
Dy4 O32 2.343(8) . ?
Dy4 O33 2.345(13) . ?
Dy5 Dy6 3.5320(10) . ?
Dy5 O21 2.338(9) . ?
Dy5 O22 2.493(10) . ?
Dy5 O23 2.322(10) 2_667 ?
Dy5 O24 2.306(8) . ?
Dy5 O25 2.319(9) . ?
Dy5 O31 2.379(9) . ?
Dy5 O32 2.337(8) . ?
Dy5 O34 2.339(12) . ?
Dy6 O25 2.322(8) . ?
Dy6 O26 2.490(9) . ?
Dy6 O28 2.243(10) . ?
Dy6 O29 2.333(9) . ?
Dy6 O31 2.368(11) . ?
Dy6 O32 2.374(8) . ?
Dy6 O35 2.385(12) . ?
Dy6 O36 2.381(11) . ?
O1 C7 1.257(19) . ?
O2 C7 1.269(18) . ?
O3 C2 1.311(16) . ?
O4 C3 1.365(18) . ?
O4 C8 1.427(18) . ?
O5 Dy2 2.315(11) 2_676 ?
O5 C15 1.27(2) . ?
O6 C15 1.273(19) . ?
O7 C10 1.319(18) . ?
O8 C11 1.35(2) . ?
O8 C16 1.430(17) . ?
O9 Dy3 2.312(9) 2_576 ?
O9 C23 1.274(18) . ?
O10 C23 1.29(2) . ?
O11 C18 1.350(16) . ?
O12 C19 1.351(18) . ?
O12 C24 1.399(19) . ?
O19 C31 1.31(3) . ?
O20 C31 1.24(2) . ?
O21 C26 1.320(17) . ?
O22 C27 1.38(2) . ?
O22 C32 1.474(15) . ?
O23 Dy5 2.322(10) 2_667 ?
O23 C47 1.287(17) . ?
O24 C47 1.258(18) . ?
O25 C42 1.320(17) . ?
O26 C43 1.384(17) . ?
O26 C48 1.440(16) . ?
O27 C39 1.268(19) . ?
O28 C39 1.206(18) . ?
O29 C34 1.315(17) . ?
O30 C35 1.359(19) . ?
O30 C40 1.488(18) . ?
C1 C2 1.41(2) . ?
C1 C6 1.41(2) . ?
C1 C7 1.46(2) . ?
C2 C3 1.41(2) . ?
C3 C4 1.392(19) . ?
C4 C5 1.39(2) . ?
C5 C6 1.40(2) . ?
C9 C10 1.41(2) . ?
C9 C14 1.38(2) . ?
C9 C15 1.48(2) . ?
C10 C11 1.46(2) . ?
C11 C12 1.42(3) . ?
C12 C13 1.36(3) . ?
C13 C14 1.35(3) . ?
C17 C18 1.395(19) . ?
C17 C22 1.39(2) . ?
C17 C23 1.49(2) . ?
C18 C19 1.35(2) . ?
C19 C20 1.43(2) . ?
C20 C21 1.38(2) . ?
C21 C22 1.39(3) . ?
C25 C26 1.43(2) . ?
C25 C30 1.38(2) . ?
C25 C31 1.48(2) . ?
C26 C27 1.39(2) . ?
C27 C28 1.38(2) . ?
C28 C29 1.33(3) . ?
C29 C30 1.46(3) . ?
C33 C34 1.42(2) . ?
C33 C38 1.37(2) . ?
C33 C39 1.55(2) . ?
C34 C35 1.43(2) . ?
C35 C36 1.42(2) . ?
C36 C37 1.38(2) . ?
C37 C38 1.39(3) . ?
C41 C42 1.418(18) . ?
C41 C46 1.39(2) . ?
C41 C47 1.480(19) . ?
C42 C43 1.42(2) . ?
C43 C44 1.37(2) . ?
C44 C45 1.40(2) . ?
C45 C46 1.38(2) . ?

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
Dy2 Dy1 Dy3 60.62(2) . . ?
O2 Dy1 Dy2 113.0(3) . . ?
O2 Dy1 Dy3 170.5(4) . . ?
O2 Dy1 O3 72.4(4) . . ?
O2 Dy1 O11 145.0(4) . . ?
O2 Dy1 O12 81.7(4) . . ?
O2 Dy1 O13 139.0(4) . . ?
O2 Dy1 O14 128.9(4) . . ?
O2 Dy1 O15 80.7(5) . . ?
O2 Dy1 O16 77.2(5) . . ?
O3 Dy1 Dy2 40.8(2) . . ?
O3 Dy1 Dy3 101.4(2) . . ?
O3 Dy1 O11 142.0(3) . . ?
O3 Dy1 O12 152.5(3) . . ?
O3 Dy1 O13 74.1(3) . . ?
O3 Dy1 O14 73.4(3) . . ?
O3 Dy1 O15 90.1(5) . . ?
O3 Dy1 O16 105.2(4) . . ?
O11 Dy1 Dy2 101.2(3) . . ?
O11 Dy1 Dy3 40.6(3) . . ?
O11 Dy1 O12 65.0(3) . . ?
O11 Dy1 O13 73.3(3) . . ?
O11 Dy1 O14 73.6(3) . . ?
O11 Dy1 O15 100.6(5) . . ?
O11 Dy1 O16 84.8(5) . . ?
O12 Dy1 Dy2 164.6(2) . . ?
O12 Dy1 Dy3 105.4(2) . . ?
O13 Dy1 Dy2 41.3(2) . . ?
O13 Dy1 Dy3 41.3(2) . . ?
O13 Dy1 O12 124.2(3) . . ?
O13 Dy1 O15 76.5(4) . . ?
O14 Dy1 Dy2 41.8(2) . . ?
O14 Dy1 Dy3 41.6(2) . . ?
O14 Dy1 O12 132.3(3) . . ?
O14 Dy1 O13 59.7(3) . . ?
O14 Dy1 O15 135.8(4) . . ?
O15 Dy1 Dy2 100.5(3) . . ?
O15 Dy1 Dy3 106.8(4) . . ?
O15 Dy1 O12 76.6(4) . . ?
O16 Dy1 Dy2 109.7(3) . . ?
O16 Dy1 Dy3 98.0(4) . . ?
O16 Dy1 O12 77.1(4) . . ?
O16 Dy1 O13 134.8(4) . . ?
O16 Dy1 O14 76.4(4) . . ?
O16 Dy1 O15 147.7(5) . . ?
Dy1 Dy2 Dy3 59.84(2) . . ?
O3 Dy2 Dy1 40.4(2) . . ?
O3 Dy2 Dy3 100.2(2) . . ?
O3 Dy2 O4 64.6(3) . . ?
O3 Dy2 O13 74.1(3) . . ?
O3 Dy2 O14 73.0(3) . . ?
O3 Dy2 O17 98.1(4) . . ?
O4 Dy2 Dy1 104.5(2) . . ?
O4 Dy2 Dy3 162.5(2) . . ?
O5 Dy2 Dy1 103.1(3) 2_676 . ?
O5 Dy2 Dy3 110.1(3) 2_676 . ?
O5 Dy2 O3 89.3(4) 2_676 . ?
O5 Dy2 O4 79.7(4) 2_676 . ?
O5 Dy2 O13 138.8(3) 2_676 . ?
O5 Dy2 O14 79.4(4) 2_676 . ?
O5 Dy2 O17 145.4(4) 2_676 . ?
O6 Dy2 Dy1 174.7(3) . . ?
O6 Dy2 Dy3 114.9(2) . . ?
O6 Dy2 O3 144.8(3) . . ?
O6 Dy2 O4 80.8(3) . . ?
O6 Dy2 O5 77.9(4) . 2_676 ?
O6 Dy2 O7 74.2(3) . . ?
O6 Dy2 O13 135.0(3) . . ?
O6 Dy2 O14 134.4(4) . . ?
O6 Dy2 O17 76.7(4) . . ?
O7 Dy2 Dy1 100.5(2) . . ?
O7 Dy2 Dy3 40.7(2) . . ?
O7 Dy2 O3 140.8(3) . . ?
O7 Dy2 O4 154.3(3) . . ?
O7 Dy2 O5 100.5(4) . 2_676 ?
O7 Dy2 O13 73.7(3) . . ?
O7 Dy2 O14 71.8(3) . . ?
O7 Dy2 O17 94.9(4) . . ?
O13 Dy2 Dy1 41.8(2) . . ?
O13 Dy2 Dy3 40.7(2) . . ?
O13 Dy2 O4 122.7(3) . . ?
O13 Dy2 O14 59.9(3) . . ?
O13 Dy2 O17 75.3(3) . . ?
O14 Dy2 Dy1 41.7(3) . . ?
O14 Dy2 Dy3 41.2(2) . . ?
O14 Dy2 O4 132.5(3) . . ?
O17 Dy2 Dy1 104.3(3) . . ?
O17 Dy2 Dy3 101.8(2) . . ?
O17 Dy2 O4 73.3(3) . . ?
O17 Dy2 O14 135.2(3) . . ?
Dy1 Dy3 Dy2 59.54(2) . . ?
O7 Dy3 Dy1 99.3(2) . . ?
O7 Dy3 Dy2 39.8(2) . . ?
O7 Dy3 O8 63.8(3) . . ?
O7 Dy3 O14 71.0(3) . . ?
O7 Dy3 O18 98.8(6) . . ?
O8 Dy3 Dy1 161.4(3) . . ?
O8 Dy3 Dy2 103.0(2) . . ?
O9 Dy3 Dy1 106.0(3) 2_576 . ?
O9 Dy3 Dy2 106.3(2) 2_576 . ?
O9 Dy3 O7 94.6(4) 2_576 . ?
O9 Dy3 O8 84.1(4) 2_576 . ?
O9 Dy3 O10 74.9(3) 2_576 . ?
O9 Dy3 O11 96.2(4) 2_576 . ?
O9 Dy3 O13 138.4(3) 2_576 . ?
O9 Dy3 O14 78.6(3) 2_576 . ?
O9 Dy3 O18 145.1(4) 2_576 . ?
O10 Dy3 Dy1 113.5(3) . . ?
O10 Dy3 Dy2 173.1(3) . . ?
O10 Dy3 O7 147.1(4) . . ?
O10 Dy3 O8 83.9(4) . . ?
O10 Dy3 O11 72.8(4) . . ?
O10 Dy3 O13 134.8(3) . . ?
O10 Dy3 O14 134.1(4) . . ?
O10 Dy3 O18 76.5(5) . . ?
O11 Dy3 Dy1 40.7(2) . . ?
O11 Dy3 Dy2 100.3(2) . . ?
O11 Dy3 O7 140.0(3) . . ?
O11 Dy3 O8 155.7(3) . . ?
O11 Dy3 O13 73.6(3) . . ?
O11 Dy3 O14 73.6(3) . . ?
O11 Dy3 O18 94.1(5) . . ?
O13 Dy3 Dy1 41.6(2) . . ?
O13 Dy3 Dy2 40.6(2) . . ?
O13 Dy3 O7 72.8(3) . . ?
O13 Dy3 O8 121.3(4) . . ?
O13 Dy3 O14 59.8(3) . . ?
O13 Dy3 O18 76.6(4) . . ?
O14 Dy3 Dy1 41.5(3) . . ?
O14 Dy3 Dy2 41.1(2) . . ?
O14 Dy3 O8 129.8(4) . . ?
O14 Dy3 O18 136.3(4) . . ?
O18 Dy3 Dy1 103.5(4) . . ?
O18 Dy3 Dy2 104.6(4) . . ?
O18 Dy3 O8 73.3(5) . . ?
Dy6 Dy4 Dy5 59.75(2) . . ?
O1 Dy4 Dy5 104.2(3) . . ?
O1 Dy4 Dy6 102.8(2) . . ?
O1 Dy4 O21 98.5(3) . . ?
O1 Dy4 O29 92.7(4) . . ?
O1 Dy4 O30 75.5(4) . . ?
O1 Dy4 O31 136.2(4) . . ?
O1 Dy4 O32 75.9(3) . . ?
O1 Dy4 O33 146.2(4) . . ?
O20 Dy4 Dy5 113.8(2) . . ?
O20 Dy4 Dy6 172.5(3) . . ?
O20 Dy4 O1 82.2(4) . . ?
O20 Dy4 O21 73.1(3) . . ?
O20 Dy4 O29 145.7(3) . . ?
O20 Dy4 O30 82.4(3) . . ?
O20 Dy4 O31 131.2(4) . . ?
O20 Dy4 O32 136.6(3) . . ?
O20 Dy4 O33 77.7(4) . . ?
O21 Dy4 Dy5 40.7(2) . . ?
O21 Dy4 Dy6 100.4(2) . . ?
O21 Dy4 O30 155.4(3) . . ?
O21 Dy4 O31 72.3(3) . . ?
O29 Dy4 Dy5 100.3(2) . . ?
O29 Dy4 Dy6 40.6(2) . . ?
O29 Dy4 O21 141.0(3) . . ?
O29 Dy4 O30 63.6(3) . . ?
O29 Dy4 O31 73.8(3) . . ?
O29 Dy4 O32 73.1(3) . . ?
O29 Dy4 O33 89.0(4) . . ?
O30 Dy4 Dy5 163.7(2) . . ?
O30 Dy4 Dy6 104.2(2) . . ?
O31 Dy4 Dy5 41.8(2) . . ?
O31 Dy4 Dy6 41.6(3) . . ?
O31 Dy4 O30 128.4(3) . . ?
O32 Dy4 Dy5 40.6(2) . . ?
O32 Dy4 Dy6 41.6(2) . . ?
O32 Dy4 O21 73.7(3) . . ?
O32 Dy4 O30 126.0(3) . . ?
O32 Dy4 O31 60.3(3) . . ?
O32 Dy4 O33 136.1(4) . . ?
O33 Dy4 Dy5 108.7(4) . . ?
O33 Dy4 Dy6 100.3(3) . . ?
O33 Dy4 O21 101.2(4) . . ?
O33 Dy4 O30 75.2(5) . . ?
O33 Dy4 O31 76.5(4) . . ?
Dy6 Dy5 Dy4 60.05(2) . . ?
O21 Dy5 Dy4 41.0(2) . . ?
O21 Dy5 Dy6 101.0(2) . . ?
O21 Dy5 O22 63.8(3) . . ?
O21 Dy5 O31 72.6(3) . . ?
O21 Dy5 O34 95.8(4) . . ?
O22 Dy5 Dy4 104.7(2) . . ?
O22 Dy5 Dy6 163.3(3) . . ?
O23 Dy5 Dy4 101.2(2) 2_667 . ?
O23 Dy5 Dy6 107.8(2) 2_667 . ?
O23 Dy5 O21 91.4(3) 2_667 . ?
O23 Dy5 O22 80.5(4) 2_667 . ?
O23 Dy5 O31 137.2(3) 2_667 . ?
O23 Dy5 O32 77.1(3) 2_667 . ?
O23 Dy5 O34 146.4(4) 2_667 . ?
O24 Dy5 Dy4 172.0(2) . . ?
O24 Dy5 Dy6 113.1(2) . . ?
O24 Dy5 O21 145.9(3) . . ?
O24 Dy5 O22 82.6(3) . . ?
O24 Dy5 O23 76.6(3) . 2_667 ?
O24 Dy5 O25 72.6(3) . . ?
O24 Dy5 O31 136.2(3) . . ?
O24 Dy5 O32 131.6(3) . . ?
O24 Dy5 O34 79.2(4) . . ?
O25 Dy5 Dy4 100.5(2) . . ?
O25 Dy5 Dy6 40.5(2) . . ?
O25 Dy5 O21 141.5(3) . . ?
O25 Dy5 O22 154.2(3) . . ?
O25 Dy5 O23 100.4(4) . 2_667 ?
O25 Dy5 O31 73.9(3) . . ?
O25 Dy5 O32 73.1(3) . . ?
O25 Dy5 O34 94.2(4) . . ?
O31 Dy5 Dy4 41.9(2) . . ?
O31 Dy5 Dy6 41.8(3) . . ?
O31 Dy5 O22 122.7(4) . . ?
O32 Dy5 Dy4 40.8(2) . . ?
O32 Dy5 Dy6 41.8(2) . . ?
O32 Dy5 O21 74.0(3) . . ?
O32 Dy5 O22 131.2(3) . . ?
O32 Dy5 O31 60.5(3) . . ?
O32 Dy5 O34 136.4(4) . . ?
O34 Dy5 Dy4 105.7(3) . . ?
O34 Dy5 Dy6 102.9(3) . . ?
O34 Dy5 O22 73.6(4) . . ?
O34 Dy5 O31 75.9(4) . . ?
Dy5 Dy6 Dy4 60.20(2) . . ?
O25 Dy6 Dy4 100.6(2) . . ?
O25 Dy6 Dy5 40.4(2) . . ?
O25 Dy6 O26 64.5(3) . . ?
O25 Dy6 O29 141.2(3) . . ?
O25 Dy6 O31 74.1(3) . . ?
O25 Dy6 O32 72.4(3) . . ?
O25 Dy6 O35 97.9(4) . . ?
O25 Dy6 O36 84.8(4) . . ?
O26 Dy6 Dy4 164.6(2) . . ?
O26 Dy6 Dy5 104.7(2) . . ?
O28 Dy6 Dy4 114.6(2) . . ?
O28 Dy6 Dy5 173.1(3) . . ?
O28 Dy6 O25 144.2(3) . . ?
O28 Dy6 O26 80.6(3) . . ?
O28 Dy6 O29 73.9(3) . . ?
O28 Dy6 O31 137.8(4) . . ?
O28 Dy6 O32 132.0(3) . . ?
O28 Dy6 O35 80.3(5) . . ?
O28 Dy6 O36 79.4(4) . . ?
O29 Dy6 Dy4 40.7(2) . . ?
O29 Dy6 Dy5 100.9(2) . . ?
O29 Dy6 O26 154.3(3) . . ?
O29 Dy6 O31 74.3(3) . . ?
O29 Dy6 O32 72.7(3) . . ?
O29 Dy6 O35 95.7(4) . . ?
O29 Dy6 O36 102.0(3) . . ?
O31 Dy6 Dy4 42.0(2) . . ?
O31 Dy6 Dy5 42.0(2) . . ?
O31 Dy6 O26 125.3(3) . . ?
O31 Dy6 O32 60.1(3) . . ?
O31 Dy6 O35 76.1(4) . . ?
O31 Dy6 O36 134.2(3) . . ?
O32 Dy6 Dy4 41.0(2) . . ?
O32 Dy6 Dy5 41.03(19) . . ?
O32 Dy6 O26 129.9(3) . . ?
O32 Dy6 O35 136.2(4) . . ?
O32 Dy6 O36 75.0(3) . . ?
O35 Dy6 Dy4 104.0(3) . . ?
O35 Dy6 Dy5 105.1(4) . . ?
O35 Dy6 O26 75.9(4) . . ?
O36 Dy6 Dy4 106.7(2) . . ?
O36 Dy6 Dy5 97.4(2) . . ?
O36 Dy6 O26 76.7(3) . . ?
O36 Dy6 O35 148.1(4) . . ?
C7 O1 Dy4 169.1(10) . . ?
C7 O2 Dy1 141.7(10) . . ?
Dy1 O3 Dy2 98.8(3) . . ?
C2 O3 Dy1 134.7(9) . . ?
C2 O3 Dy2 125.3(9) . . ?
C3 O4 Dy2 117.4(7) . . ?
C3 O4 C8 117.0(12) . . ?
C8 O4 Dy2 125.5(9) . . ?
C15 O5 Dy2 130.1(10) . 2_676 ?
C15 O6 Dy2 137.9(10) . . ?
Dy2 O7 Dy3 99.5(4) . . ?
C10 O7 Dy2 133.2(8) . . ?
C10 O7 Dy3 126.7(8) . . ?
C11 O8 Dy3 120.0(9) . . ?
C11 O8 C16 115.0(14) . . ?
C16 O8 Dy3 125.0(11) . . ?
C23 O9 Dy3 130.3(8) . 2_576 ?
C23 O10 Dy3 135.6(9) . . ?
Dy3 O11 Dy1 98.7(4) . . ?
C18 O11 Dy1 123.3(9) . . ?
C18 O11 Dy3 137.9(8) . . ?
C19 O12 Dy1 115.3(9) . . ?
C19 O12 C24 120.1(11) . . ?
C24 O12 Dy1 124.4(8) . . ?
Dy2 O13 Dy1 96.9(3) . . ?
Dy2 O13 Dy3 98.7(3) . . ?
Dy3 O13 Dy1 97.1(3) . . ?
Dy1 O14 Dy2 96.5(4) . . ?
Dy1 O14 Dy3 96.9(4) . . ?
Dy2 O14 Dy3 97.7(3) . . ?
C31 O20 Dy4 141.6(10) . . ?
Dy5 O21 Dy4 98.3(3) . . ?
C26 O21 Dy4 135.0(9) . . ?
C26 O21 Dy5 126.1(9) . . ?
C27 O22 Dy5 118.8(9) . . ?
C27 O22 C32 117.2(12) . . ?
C32 O22 Dy5 123.8(9) . . ?
C47 O23 Dy5 129.2(7) . 2_667 ?
C47 O24 Dy5 135.6(8) . . ?
Dy5 O25 Dy6 99.1(3) . . ?
C42 O25 Dy5 135.6(8) . . ?
C42 O25 Dy6 124.9(8) . . ?
C43 O26 Dy6 118.1(8) . . ?
C43 O26 C48 116.0(11) . . ?
C48 O26 Dy6 125.7(8) . . ?
C39 O28 Dy6 143.1(11) . . ?
Dy6 O29 Dy4 98.6(3) . . ?
C34 O29 Dy4 126.5(9) . . ?
C34 O29 Dy6 134.8(9) . . ?
C35 O30 Dy4 120.5(9) . . ?
C35 O30 C40 113.3(12) . . ?
C40 O30 Dy4 126.1(9) . . ?
Dy5 O31 Dy4 96.3(3) . . ?
Dy6 O31 Dy4 96.4(3) . . ?
Dy6 O31 Dy5 96.2(4) . . ?
Dy4 O32 Dy6 97.4(3) . . ?
Dy5 O32 Dy4 98.6(4) . . ?
Dy5 O32 Dy6 97.1(3) . . ?
C2 C1 C7 122.8(13) . . ?
C6 C1 C2 120.1(14) . . ?
C6 C1 C7 117.1(14) . . ?
O3 C2 C1 125.1(13) . . ?
O3 C2 C3 117.6(14) . . ?
C3 C2 C1 117.3(12) . . ?
O4 C3 C2 115.0(12) . . ?
O4 C3 C4 122.8(12) . . ?
C4 C3 C2 122.1(14) . . ?
C3 C4 C5 120.5(13) . . ?
C4 C5 C6 118.3(13) . . ?
C5 C6 C1 121.6(14) . . ?
O1 C7 O2 118.5(14) . . ?
O1 C7 C1 121.6(13) . . ?
O2 C7 C1 119.8(14) . . ?
C10 C9 C15 121.7(13) . . ?
C14 C9 C10 118.0(14) . . ?
C14 C9 C15 120.2(15) . . ?
O7 C10 C9 126.1(12) . . ?
O7 C10 C11 115.8(14) . . ?
C9 C10 C11 118.1(14) . . ?
O8 C11 C10 113.7(15) . . ?
O8 C11 C12 128.9(15) . . ?
C12 C11 C10 117.4(17) . . ?
C13 C12 C11 123.5(17) . . ?
C14 C13 C12 116.5(19) . . ?
C13 C14 C9 126.2(18) . . ?
O5 C15 O6 122.6(14) . . ?
O5 C15 C9 118.7(14) . . ?
O6 C15 C9 118.6(15) . . ?
C18 C17 C23 123.9(13) . . ?
C22 C17 C18 117.8(14) . . ?
C22 C17 C23 118.3(13) . . ?
O11 C18 C17 122.1(13) . . ?
C19 C18 O11 115.5(12) . . ?
C19 C18 C17 122.4(13) . . ?
O12 C19 C20 121.2(14) . . ?
C18 C19 O12 119.4(13) . . ?
C18 C19 C20 119.4(14) . . ?
C21 C20 C19 119.5(16) . . ?
C20 C21 C22 119.2(15) . . ?
C21 C22 C17 121.7(14) . . ?
O9 C23 O10 121.1(15) . . ?
O9 C23 C17 118.3(15) . . ?
O10 C23 C17 120.5(13) . . ?
C26 C25 C31 121.0(13) . . ?
C30 C25 C26 120.6(14) . . ?
C30 C25 C31 118.4(15) . . ?
O21 C26 C25 124.9(13) . . ?
O21 C26 C27 116.4(14) . . ?
C27 C26 C25 118.6(14) . . ?
O22 C27 C26 114.7(14) . . ?
O22 C27 C28 124.5(15) . . ?
C28 C27 C26 120.8(17) . . ?
C29 C28 C27 121.1(19) . . ?
C28 C29 C30 121.1(19) . . ?
C25 C30 C29 117.3(18) . . ?
O19 C31 C25 117.5(18) . . ?
O20 C31 O19 116.9(19) . . ?
O20 C31 C25 123.5(13) . . ?
C34 C33 C39 120.3(12) . . ?
C38 C33 C34 119.8(15) . . ?
C38 C33 C39 119.9(14) . . ?
O29 C34 C33 125.6(13) . . ?
O29 C34 C35 116.1(13) . . ?
C33 C34 C35 118.2(13) . . ?
O30 C35 C34 113.2(13) . . ?
O30 C35 C36 126.2(14) . . ?
C36 C35 C34 120.4(15) . . ?
C37 C36 C35 118.3(15) . . ?
C36 C37 C38 121.8(15) . . ?
C33 C38 C37 121.2(16) . . ?
O27 C39 C33 113.8(12) . . ?
O28 C39 O27 124.9(14) . . ?
O28 C39 C33 121.3(14) . . ?
C42 C41 C47 120.0(12) . . ?
C46 C41 C42 122.1(13) . . ?
C46 C41 C47 117.9(12) . . ?
O25 C42 C41 125.9(12) . . ?
O25 C42 C43 117.2(11) . . ?
C43 C42 C41 116.9(13) . . ?
O26 C43 C42 113.4(12) . . ?
C44 C43 O26 125.2(13) . . ?
C44 C43 C42 121.3(14) . . ?
C43 C44 C45 119.5(15) . . ?
C46 C45 C44 121.6(15) . . ?
C45 C46 C41 118.3(14) . . ?
O23 C47 C41 116.1(13) . . ?
O24 C47 O23 122.3(13) . . ?
O24 C47 C41 121.1(12) . . ?

_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 3.466
_oxdiff_exptl_absorpt_empirical_full_min 0.414
