# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2326598'
loop_
_audit_author_name
_audit_author_address
'YaQing Liao'
;Jiangxi university of science and technology
China
;
_audit_update_record             
;
2024-01-19 deposited with the CCDC.	2024-03-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C288 H248 Dy16 O160'
_chemical_formula_weight         8868.85

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0034 0.0017 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1318 4.4580 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0114 0.0062 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           43
_space_group_name_H-M_alt        'F d d 2'
_space_group_name_Hall           'F 2 -2d'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'

_cell_length_a                   28.3208(13)
_cell_length_b                   39.2416(17)
_cell_length_c                   16.2646(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     18075.7(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    9584
_cell_measurement_theta_min      2.94
_cell_measurement_theta_max      27.48

_exptl_crystal_description       blocky
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_F_000             8624
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_absorpt_coefficient_mu    3.338
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            68161
_diffrn_reflns_av_unetI/netI     0.0269
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.888
_diffrn_reflns_theta_max         27.512
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             10365
_reflns_number_gt                9893
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.933
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    0.999

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component perfect inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0356P)²+130.1943P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as a perfect inversion twin.
;
_refine_ls_abs_structure_Flack   0.5
_chemical_absolute_configuration ?
_refine_ls_number_reflns         10365
_refine_ls_number_parameters     606
_refine_ls_number_restraints     2407
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0259
_refine_ls_wR_factor_ref         0.0684
_refine_ls_wR_factor_gt          0.0665
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      0.988
_refine_ls_shift/su_max          0.084
_refine_ls_shift/su_mean         0.002

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 0.32400(2) 0.48104(2) 1.05520(7) 0.01919(7) Uani 1 1 d . . . . .
O1 O 0.3818(2) 0.43045(15) 0.0807(3) 0.0394(14) Uani 1 1 d . . . . .
C1 C 0.3654(3) 0.42677(19) 0.1528(4) 0.0294(13) Uani 1 1 d . U . . .
O2 O 0.4764(3) 0.3660(3) 0.6126(5) 0.048(3) Uani 0.688(8) 1 d D . P A 1
Dy2 Dy 0.43725(2) 0.28509(2) -0.01325(7) 0.01911(7) Uani 1 1 d . . . . .
C2 C 0.3990(3) 0.36832(17) 0.1751(4) 0.0244(11) Uani 1 1 d . U . . .
H2 H 0.400567 0.365284 0.118488 0.029 Uiso 1 1 calc R U . . .
O3 O 0.3232(3) 0.4094(3) 0.4305(5) 0.053(3) Uani 0.688(8) 1 d D . P A 1
C3 C 0.4240(2) 0.30744(17) 0.1943(4) 0.0207(11) Uani 1 1 d . U . . .
C4 C 0.4118(2) 0.34187(16) 0.2276(4) 0.0218(11) Uani 1 1 d . U . . .
O4 O 0.3344(3) 0.44620(17) 0.1798(3) 0.0494(19) Uani 1 1 d . . . . .
C5 C 0.3839(3) 0.39929(18) 0.2073(4) 0.0263(12) Uani 1 1 d . U . . .
O5 O 0.3411(2) 0.48557(13) 0.7979(4) 0.0413(15) Uani 1 1 d . . . . .
C6 C 0.3835(3) 0.40383(18) 0.2922(4) 0.0272(12) Uani 1 1 d . U . . .
H6 H 0.372977 0.424448 0.313641 0.033 Uiso 1 1 calc R U . . .
O6 O 0.3495(2) 0.46692(14) 0.9245(3) 0.0398(15) Uani 1 1 d . . . . .
C7 C 0.3983(3) 0.37846(17) 0.3458(4) 0.0236(11) Uani 1 1 d . U . . .
O7 O 0.4019(2) 0.5052(2) 1.0734(5) 0.064(2) Uani 1 1 d . . . . .
H7A H 0.405340 0.528412 1.083523 0.096 Uiso 1 1 calc R U . . .
H7B H 0.428462 0.491320 1.070154 0.096 Uiso 1 1 calc R U . . .
C8 C 0.4121(2) 0.34732(16) 0.3119(4) 0.0222(10) Uani 1 1 d . U . . .
H8 H 0.421606 0.329812 0.346700 0.027 Uiso 1 1 calc R U . . .
O8 O 0.2805(2) 0.42842(14) 1.0270(4) 0.0479(17) Uani 1 1 d . . . . .
H8A H 0.247679 0.428792 1.023746 0.072 Uiso 1 1 calc R U . . .
H8B H 0.296703 0.408054 1.019537 0.072 Uiso 1 1 calc DR U . . .
C9 C 0.3988(3) 0.38370(17) 0.4360(4) 0.0231(11) Uani 1 1 d . U . . .
O9 O 0.4073(3) 0.34680(15) 0.9650(3) 0.0474(18) Uani 1 1 d . . . . .
C11 C 0.4366(2) 0.37215(16) 0.4833(5) 0.0252(10) Uani 1 1 d D U . . .
H11 H 0.462048 0.361462 0.457857 0.030 Uiso 0.688(8) 1 calc R U P A 1
O11 O 0.4258(3) 0.30444(14) 0.1178(3) 0.0415(16) Uani 1 1 d . . . . .
C10 C 0.3608(3) 0.39930(17) 0.4757(4) 0.0264(11) Uani 1 1 d D U . . .
H10 H 0.334876 0.406620 0.445318 0.032 Uiso 0.312(8) 1 calc R U P A 2
O10 O 0.4455(2) 0.32294(14) 0.8638(3) 0.0367(14) Uani 1 1 d . . . . .
C12 C 0.4367(3) 0.37649(18) 0.5683(4) 0.0265(11) Uani 1 1 d D U . . .
H12 H 0.461892 0.368322 0.599192 0.032 Uiso 0.312(8) 1 calc R U P A 2
O12 O 0.43313(19) 0.28439(11) 0.2436(4) 0.0291(12) Uani 1 1 d . . . . .
C13 C 0.3996(3) 0.39284(17) 0.6076(4) 0.0244(11) Uani 1 1 d . U . . .
O13 O 0.3520(3) 0.2863(2) -0.0332(6) 0.076(3) Uani 1 1 d . . . . .
H13A H 0.330668 0.288850 0.003949 0.114 Uiso 1 1 d R U . . .
H13B H 0.336543 0.284363 -0.078432 0.114 Uiso 1 1 d R U . . .
C14 C 0.3615(3) 0.40390(17) 0.5603(4) 0.0257(11) Uani 1 1 d D U . . .
H14 H 0.336120 0.414562 0.585852 0.031 Uiso 0.688(8) 1 calc R U P A 1
O14 O 0.5054(3) 0.32342(17) 0.0144(5) 0.0566(19) Uani 1 1 d . . . . .
H14A H 0.530251 0.315127 -0.007562 0.085 Uiso 1 1 d R U . . .
H14B H 0.511348 0.323464 0.065875 0.085 Uiso 1 1 d R U . . .
C15 C 0.3983(3) 0.39753(17) 0.6982(4) 0.0246(12) Uani 1 1 d . U . . .
O15 O 0.50427(17) 0.25269(14) -0.0048(3) 0.0291(11) Uani 1 1 d . . . . .
C19 C 0.4081(3) 0.37593(17) 0.8368(4) 0.0245(12) Uani 1 1 d . U . . .
C18 C 0.3891(3) 0.40563(17) 0.8699(4) 0.0228(12) Uani 1 1 d . U . . .
H18 H 0.385602 0.408126 0.926453 0.027 Uiso 1 1 calc R U . . .
O18 O 0.57498(18) 0.24732(15) 0.3652(3) 0.0257(11) Uani 1 1 d . . . . .
C17 C 0.3752(2) 0.43185(15) 0.8157(4) 0.0196(11) Uani 1 1 d . U . . .
O17 O 0.50626(15) 0.23996(11) 0.3008(3) 0.0225(9) Uani 1 1 d . . . . .
C16 C 0.3797(2) 0.42768(16) 0.7315(4) 0.0219(11) Uani 1 1 d . U . . .
H16 H 0.370349 0.445139 0.696461 0.026 Uiso 1 1 calc R U . . .
O16 O 0.56726(18) 0.23454(14) -0.0721(3) 0.0235(11) Uani 1 1 d . . . . .
C20 C 0.4122(3) 0.37216(17) 0.7522(4) 0.0254(12) Uani 1 1 d . U . . .
H20 H 0.424680 0.352027 0.731263 0.030 Uiso 1 1 calc R U . . .
C21 C 0.3534(3) 0.46392(17) 0.8481(4) 0.0220(12) Uani 1 1 d . U . . .
C22 C 0.4220(3) 0.34707(18) 0.8920(4) 0.0256(12) Uani 1 1 d . U . . .
C24 C 0.5460(2) 0.24324(16) -0.0084(4) 0.0210(11) Uani 1 1 d . U . . .
C23 C 0.5099(5) 0.3434(3) 0.5794(8) 0.042(2) Uani 0.688(8) 1 d D U P A 1
H23A H 0.494001 0.325859 0.548876 0.063 Uiso 0.688(8) 1 calc R U P A 1
H23B H 0.527803 0.333253 0.623090 0.063 Uiso 0.688(8) 1 calc R U P A 1
H23C H 0.530740 0.355656 0.543452 0.063 Uiso 0.688(8) 1 calc R U P A 1
C25 C 0.5731(2) 0.24275(18) 0.0709(4) 0.0213(11) Uani 1 1 d . U . . .
C26 C 0.6224(2) 0.24412(19) 0.0697(4) 0.0249(12) Uani 1 1 d . U . . .
H26 H 0.638286 0.243582 0.019683 0.030 Uiso 1 1 calc R U . . .
C27 C 0.5495(2) 0.24337(19) 0.1464(4) 0.0205(11) Uani 1 1 d . U . . .
H27 H 0.516730 0.242799 0.147859 0.025 Uiso 1 1 calc R U . . .
C28 C 0.5750(2) 0.24485(19) 0.2188(4) 0.0231(12) Uani 1 1 d . U . . .
C29 C 0.5502(2) 0.24405(16) 0.3012(4) 0.0193(10) Uani 1 1 d . U . . .
C30 C 0.6236(2) 0.2467(2) 0.2164(4) 0.0264(12) Uani 1 1 d . U . . .
H30 H 0.640234 0.248343 0.265490 0.032 Uiso 1 1 calc R U . . .
C31 C 0.6482(2) 0.2463(2) 0.1431(5) 0.0260(12) Uani 1 1 d . U . . .
C35 C 0.2810(4) 0.4182(4) 0.4717(7) 0.041(2) Uani 0.688(8) 1 d D U P A 1
H35A H 0.257099 0.401689 0.459427 0.061 Uiso 0.688(8) 1 calc R U P A 1
H35B H 0.270752 0.440331 0.453709 0.061 Uiso 0.688(8) 1 calc R U P A 1
H35C H 0.286605 0.418700 0.529897 0.061 Uiso 0.688(8) 1 calc R U P A 1
C40 C 0.7002(2) 0.24819(16) 0.1415(3) 0.0260(13) Uani 1 1 d D U . . .
C33 C 0.7718(3) 0.2788(3) 0.1806(7) 0.0313(19) Uani 0.520(9) 1 d D U P B 1
C32 C 0.7224(4) 0.2769(3) 0.1777(6) 0.0304(19) Uani 0.520(9) 1 d D U P B 1
H32 H 0.704171 0.294361 0.199676 0.036 Uiso 0.520(9) 1 calc R U P B 1
O3A O 0.4743(6) 0.3558(4) 0.4498(9) 0.033(4) Uani 0.312(8) 1 d D U P A 2
O2A O 0.3197(6) 0.4168(5) 0.5931(10) 0.039(5) Uani 0.312(8) 1 d D . P A 2
C23A C 0.2795(8) 0.4266(6) 0.5457(15) 0.031(3) Uani 0.312(8) 1 d D U P A 2
H23D H 0.288922 0.442739 0.504507 0.047 Uiso 0.312(8) 1 calc R U P A 2
H23E H 0.256355 0.436822 0.581127 0.047 Uiso 0.312(8) 1 calc R U P A 2
H23F H 0.266208 0.406859 0.519729 0.047 Uiso 0.312(8) 1 calc R U P A 2
C35A C 0.5053(7) 0.3338(5) 0.4959(14) 0.031(3) Uani 0.312(8) 1 d D U P A 2
H35D H 0.535626 0.344715 0.495164 0.046 Uiso 0.312(8) 1 d R U P A 2
H35E H 0.507086 0.312514 0.467134 0.046 Uiso 0.312(8) 1 d R U P A 2
H35F H 0.495936 0.329785 0.551784 0.046 Uiso 0.312(8) 1 d R U P A 2
O19A O 0.7943(4) 0.3006(3) 0.0636(7) 0.055(4) Uani 0.480(9) 1 d D U P B 2
O19 O 0.7923(5) 0.3076(3) 0.2170(6) 0.058(3) Uani 0.520(9) 1 d D U P B 1
C32A C 0.7234(4) 0.2737(3) 0.1042(7) 0.030(2) Uani 0.480(9) 1 d D U P B 2
H32A H 0.706289 0.291258 0.079670 0.036 Uiso 0.480(9) 1 calc R U P B 2
C33A C 0.7721(3) 0.2745(3) 0.1016(7) 0.030(2) Uani 0.480(9) 1 d D U P B 2
C34 C 0.8028(8) 0.3365(5) 0.1678(13) 0.061(4) Uani 0.520(9) 1 d D U P B 1
H34A H 0.796957 0.356869 0.198882 0.091 Uiso 0.520(9) 1 calc R U P B 1
H34B H 0.783072 0.336361 0.119779 0.091 Uiso 0.520(9) 1 calc R U P B 1
H34C H 0.835323 0.335780 0.151569 0.091 Uiso 0.520(9) 1 calc R U P B 1
C34A C 0.8125(9) 0.3297(5) 0.1049(15) 0.069(4) Uani 0.480(9) 1 d D U P B 2
H34D H 0.842183 0.329266 0.076407 0.104 Uiso 0.480(9) 1 d R U P B 2
H34E H 0.817473 0.324667 0.161977 0.104 Uiso 0.480(9) 1 d R U P B 2
H34F H 0.798593 0.351926 0.099647 0.104 Uiso 0.480(9) 1 d R U P B 2
O20 O 0.5628(4) 0.3862(3) 0.7621(9) 0.116(4) Uani 1 1 d G . . . .
H20A H 0.574362 0.389118 0.714461 0.174 Uiso 1 1 d DG U . . .
H20B H 0.537365 0.397729 0.761874 0.174 Uiso 1 1 d DG U . . .


_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 O17 2.301(4) 12 ?
Dy1 O6 2.312(5) . ?
Dy1 O12 2.330(5) 12 ?
Dy1 O16 2.417(5) 15_456 ?
Dy1 O7 2.420(7) . ?
Dy1 O8 2.449(6) . ?
Dy1 O4 2.463(5) 1_556 ?
Dy1 O1 2.607(5) 1_556 ?
Dy1 C1 2.904(7) 1_556 ?
O1 C1 1.270(9) . ?
C1 O4 1.244(9) . ?
C1 C5 1.491(9) . ?
O2 C12 1.397(10) . ?
O2 C23 1.406(13) . ?
Dy2 O11 2.286(5) . ?
Dy2 O15 2.288(5) . ?
Dy2 O5 2.325(5) 16_544 ?
Dy2 O18 2.376(5) 6_654 ?
Dy2 O13 2.436(7) . ?
Dy2 O14 2.487(6) . ?
Dy2 O10 2.502(5) 1_554 ?
Dy2 O9 2.591(5) 1_554 ?
Dy2 C22 2.911(7) 1_554 ?
C2 C5 1.391(9) . ?
C2 C4 1.392(9) . ?
C2 H2 0.9300 . ?
O3 C10 1.352(10) . ?
O3 C35 1.413(14) . ?
C3 O12 1.236(8) . ?
C3 O11 1.250(8) . ?
C3 C4 1.497(9) . ?
C4 C8 1.388(9) . ?
C5 C6 1.392(9) . ?
O5 C21 1.229(8) . ?
C6 C7 1.388(9) . ?
C6 H6 0.9300 . ?
O6 C21 1.254(8) . ?
C7 C8 1.395(9) . ?
C7 C9 1.482(9) . ?
O7 H7A 0.9300 . ?
O7 H7B 0.9300 . ?
C8 H8 0.9300 . ?
O8 H8A 0.9300 . ?
O8 H8B 0.9300 . ?
C9 C11 1.393(9) . ?
C9 C10 1.398(10) . ?
O9 C22 1.258(8) . ?
C11 O3A 1.360(14) . ?
C11 C12 1.394(10) . ?
C11 H11 0.9300 . ?
C10 C14 1.387(9) . ?
C10 H10 0.9300 . ?
O10 C22 1.245(9) . ?
C12 C13 1.386(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.394(10) . ?
C13 C15 1.486(9) . ?
O13 H13A 0.8606 . ?
O13 H13B 0.8604 . ?
C14 O2A 1.395(15) . ?
C14 H14 0.9300 . ?
O14 H14A 0.8543 . ?
O14 H14B 0.8545 . ?
C15 C20 1.385(9) . ?
C15 C16 1.403(9) . ?
O15 C24 1.241(8) . ?
C19 C20 1.389(9) . ?
C19 C18 1.392(9) . ?
C19 C22 1.497(9) . ?
C18 C17 1.412(8) . ?
C18 H18 0.9300 . ?
O18 C29 1.262(8) . ?
C17 C16 1.385(9) . ?
C17 C21 1.498(8) . ?
O17 C29 1.256(7) . ?
C16 H16 0.9300 . ?
O16 C24 1.246(8) . ?
C20 H20 0.9300 . ?
C24 C25 1.501(9) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C25 C26 1.396(9) . ?
C25 C27 1.398(9) . ?
C26 C31 1.402(10) . ?
C26 H26 0.9300 . ?
C27 C28 1.382(9) . ?
C27 H27 0.9300 . ?
C28 C30 1.378(9) . ?
C28 C29 1.512(9) . ?
C30 C31 1.380(10) . ?
C30 H30 0.9300 . ?
C31 C40 1.475(9) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C40 C32A 1.343(11) . ?
C40 C33A 1.351(9) 14_655 ?
C40 C32 1.417(9) . ?
C40 C33 1.469(12) 14_655 ?
C33 O19 1.401(11) . ?
C33 C32 1.403(10) . ?
C32 H32 0.9300 . ?
O3A C35A 1.441(18) . ?
O2A C23A 1.43(2) . ?
C23A H23D 0.9600 . ?
C23A H23E 0.9600 . ?
C23A H23F 0.9600 . ?
C35A H35D 0.9591 . ?
C35A H35E 0.9602 . ?
C35A H35F 0.9596 . ?
O19A C33A 1.352(11) . ?
O19A C34A 1.422(12) . ?
O19 C34 1.418(13) . ?
C32A C33A 1.382(11) . ?
C32A C33A 1.897(15) 14_655 ?
C32A H32A 0.9300 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C34A H34D 0.9606 . ?
C34A H34E 0.9601 . ?
C34A H34F 0.9598 . ?
O20 H20A 0.8498 . ?
O20 H20B 0.8500 . ?

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
O17 Dy1 O6 108.4(2) 12 . ?
O17 Dy1 O12 76.38(18) 12 12 ?
O6 Dy1 O12 81.19(19) . 12 ?
O17 Dy1 O16 82.10(17) 12 15_456 ?
O6 Dy1 O16 156.6(2) . 15_456 ?
O12 Dy1 O16 81.16(19) 12 15_456 ?
O17 Dy1 O7 147.7(2) 12 . ?
O6 Dy1 O7 85.5(3) . . ?
O12 Dy1 O7 77.2(2) 12 . ?
O16 Dy1 O7 75.7(2) 15_456 . ?
O17 Dy1 O8 67.97(19) 12 . ?
O6 Dy1 O8 77.5(2) . . ?
O12 Dy1 O8 129.3(2) 12 . ?
O16 Dy1 O8 125.9(2) 15_456 . ?
O7 Dy1 O8 144.4(2) . . ?
O17 Dy1 O4 103.2(2) 12 1_556 ?
O6 Dy1 O4 125.90(19) . 1_556 ?
O12 Dy1 O4 149.7(2) 12 1_556 ?
O16 Dy1 O4 68.9(2) 15_456 1_556 ?
O7 Dy1 O4 90.5(3) . 1_556 ?
O8 Dy1 O4 75.3(3) . 1_556 ?
O17 Dy1 O1 137.85(19) 12 1_556 ?
O6 Dy1 O1 76.56(18) . 1_556 ?
O12 Dy1 O1 143.8(2) 12 1_556 ?
O16 Dy1 O1 110.11(18) 15_456 1_556 ?
O7 Dy1 O1 72.9(2) . 1_556 ?
O8 Dy1 O1 72.8(2) . 1_556 ?
O4 Dy1 O1 51.05(18) 1_556 1_556 ?
O17 Dy1 C1 121.8(2) 12 1_556 ?
O6 Dy1 C1 101.57(19) . 1_556 ?
O12 Dy1 C1 158.3(2) 12 1_556 ?
O16 Dy1 C1 89.45(19) 15_456 1_556 ?
O7 Dy1 C1 81.5(3) . 1_556 ?
O8 Dy1 C1 71.8(2) . 1_556 ?
O4 Dy1 C1 25.13(19) 1_556 1_556 ?
O1 Dy1 C1 25.93(19) 1_556 1_556 ?
C1 O1 Dy1 90.2(4) . 1_554 ?
O4 C1 O1 121.0(7) . . ?
O4 C1 C5 118.7(6) . . ?
O1 C1 C5 120.2(7) . . ?
O4 C1 Dy1 57.2(4) . 1_554 ?
O1 C1 Dy1 63.9(4) . 1_554 ?
C5 C1 Dy1 175.8(5) . 1_554 ?
C12 O2 C23 122.1(8) . . ?
O11 Dy2 O15 104.3(2) . . ?
O11 Dy2 O5 80.2(2) . 16_544 ?
O15 Dy2 O5 78.2(2) . 16_544 ?
O11 Dy2 O18 158.9(2) . 6_654 ?
O15 Dy2 O18 82.74(18) . 6_654 ?
O5 Dy2 O18 81.86(19) 16_544 6_654 ?
O11 Dy2 O13 88.7(3) . . ?
O15 Dy2 O13 147.2(3) . . ?
O5 Dy2 O13 74.4(3) 16_544 . ?
O18 Dy2 O13 75.8(2) 6_654 . ?
O11 Dy2 O14 75.0(3) . . ?
O15 Dy2 O14 71.5(2) . . ?
O5 Dy2 O14 134.1(2) 16_544 . ?
O18 Dy2 O14 126.0(2) 6_654 . ?
O13 Dy2 O14 141.3(3) . . ?
O11 Dy2 O10 124.14(19) . 1_554 ?
O15 Dy2 O10 107.50(19) . 1_554 ?
O5 Dy2 O10 150.4(2) 16_544 1_554 ?
O18 Dy2 O10 70.5(2) 6_654 1_554 ?
O13 Dy2 O10 88.5(3) . 1_554 ?
O14 Dy2 O10 73.3(2) . 1_554 ?
O11 Dy2 O9 76.69(17) . 1_554 ?
O15 Dy2 O9 143.1(2) . 1_554 ?
O5 Dy2 O9 136.6(2) 16_544 1_554 ?
O18 Dy2 O9 109.82(19) 6_654 1_554 ?
O13 Dy2 O9 68.8(3) . 1_554 ?
O14 Dy2 O9 73.4(3) . 1_554 ?
O10 Dy2 O9 50.70(16) 1_554 1_554 ?
O11 Dy2 C22 101.22(19) . 1_554 ?
O15 Dy2 C22 128.3(2) . 1_554 ?
O5 Dy2 C22 150.8(2) 16_544 1_554 ?
O18 Dy2 C22 89.15(19) 6_654 1_554 ?
O13 Dy2 C22 76.4(3) . 1_554 ?
O14 Dy2 C22 72.9(2) . 1_554 ?
O10 Dy2 C22 25.17(18) 1_554 1_554 ?
O9 Dy2 C22 25.60(17) 1_554 1_554 ?
C5 C2 C4 120.0(6) . . ?
C5 C2 H2 120.0 . . ?
C4 C2 H2 120.0 . . ?
C10 O3 C35 118.6(8) . . ?
O12 C3 O11 124.6(6) . . ?
O12 C3 C4 118.3(6) . . ?
O11 C3 C4 117.1(6) . . ?
C8 C4 C2 119.5(6) . . ?
C8 C4 C3 119.8(6) . . ?
C2 C4 C3 120.7(6) . . ?
C1 O4 Dy1 97.7(4) . 1_554 ?
C2 C5 C6 119.2(6) . . ?
C2 C5 C1 121.0(6) . . ?
C6 C5 C1 119.7(6) . . ?
C21 O5 Dy2 163.7(5) . 12 ?
C7 C6 C5 121.9(6) . . ?
C7 C6 H6 119.0 . . ?
C5 C6 H6 119.0 . . ?
C21 O6 Dy1 164.1(5) . . ?
C6 C7 C8 117.7(6) . . ?
C6 C7 C9 121.7(6) . . ?
C8 C7 C9 120.6(6) . . ?
Dy1 O7 H7A 120.0 . . ?
Dy1 O7 H7B 120.0 . . ?
H7A O7 H7B 120.0 . . ?
C4 C8 C7 121.6(6) . . ?
C4 C8 H8 119.2 . . ?
C7 C8 H8 119.2 . . ?
Dy1 O8 H8A 120.0 . . ?
Dy1 O8 H8B 120.0 . . ?
H8A O8 H8B 120.0 . . ?
C11 C9 C10 118.7(6) . . ?
C11 C9 C7 120.6(6) . . ?
C10 C9 C7 120.7(6) . . ?
C22 O9 Dy2 91.6(4) . 1_556 ?
O3A C11 C9 122.4(9) . . ?
O3A C11 C12 117.1(8) . . ?
C9 C11 C12 120.5(6) . . ?
C9 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C3 O11 Dy2 164.7(5) . . ?
O3 C10 C14 120.8(7) . . ?
O3 C10 C9 119.0(7) . . ?
C14 C10 C9 120.2(6) . . ?
C14 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C22 O10 Dy2 96.1(4) . 1_556 ?
C13 C12 C11 120.8(6) . . ?
C13 C12 O2 120.7(7) . . ?
C11 C12 O2 118.4(6) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C3 O12 Dy1 156.7(5) . 16_544 ?
C12 C13 C14 118.5(6) . . ?
C12 C13 C15 122.1(6) . . ?
C14 C13 C15 119.4(6) . . ?
Dy2 O13 H13A 127.3 . . ?
Dy2 O13 H13B 128.1 . . ?
H13A O13 H13B 104.6 . . ?
C10 C14 C13 121.2(6) . . ?
C10 C14 O2A 114.5(9) . . ?
C13 C14 O2A 124.0(9) . . ?
C10 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
Dy2 O14 H14A 109.5 . . ?
Dy2 O14 H14B 109.4 . . ?
H14A O14 H14B 104.3 . . ?
C20 C15 C16 117.9(6) . . ?
C20 C15 C13 122.2(6) . . ?
C16 C15 C13 119.7(6) . . ?
C24 O15 Dy2 162.5(5) . . ?
C20 C19 C18 120.3(6) . . ?
C20 C19 C22 119.4(6) . . ?
C18 C19 C22 120.2(6) . . ?
C19 C18 C17 118.5(6) . . ?
C19 C18 H18 120.8 . . ?
C17 C18 H18 120.8 . . ?
C29 O18 Dy2 123.5(4) . 6_655 ?
C16 C17 C18 120.4(6) . . ?
C16 C17 C21 119.1(5) . . ?
C18 C17 C21 120.5(6) . . ?
C29 O17 Dy1 177.6(5) . 16_544 ?
C17 C16 C15 121.1(6) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C24 O16 Dy1 124.9(4) . 7_553 ?
C15 C20 C19 121.9(6) . . ?
C15 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
O5 C21 O6 124.7(6) . . ?
O5 C21 C17 117.7(6) . . ?
O6 C21 C17 117.7(6) . . ?
O10 C22 O9 121.2(6) . . ?
O10 C22 C19 119.6(6) . . ?
O9 C22 C19 119.1(6) . . ?
O10 C22 Dy2 58.7(4) . 1_556 ?
O9 C22 Dy2 62.8(4) . 1_556 ?
C19 C22 Dy2 171.2(5) . 1_556 ?
O15 C24 O16 125.5(7) . . ?
O15 C24 C25 116.8(6) . . ?
O16 C24 C25 117.7(6) . . ?
O2 C23 H23A 109.5 . . ?
O2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C25 C27 119.3(6) . . ?
C26 C25 C24 119.9(6) . . ?
C27 C25 C24 120.6(6) . . ?
C25 C26 C31 120.7(6) . . ?
C25 C26 H26 119.6 . . ?
C31 C26 H26 119.6 . . ?
C28 C27 C25 120.0(6) . . ?
C28 C27 H27 120.0 . . ?
C25 C27 H27 120.0 . . ?
C30 C28 C27 119.9(6) . . ?
C30 C28 C29 119.3(6) . . ?
C27 C28 C29 120.8(6) . . ?
O17 C29 O18 124.6(6) . . ?
O17 C29 C28 117.3(6) . . ?
O18 C29 C28 118.1(6) . . ?
C28 C30 C31 121.9(6) . . ?
C28 C30 H30 119.0 . . ?
C31 C30 H30 119.0 . . ?
C30 C31 C26 118.2(6) . . ?
C30 C31 C40 121.3(6) . . ?
C26 C31 C40 120.5(6) . . ?
O3 C35 H35A 109.5 . . ?
O3 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
O3 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C32 C40 C33 98.8(6) . 14_655 ?
C32A C40 C31 122.2(8) . . ?
C33A C40 C31 123.7(7) 14_655 . ?
C32 C40 C31 118.3(7) . . ?
C33 C40 C31 119.6(7) 14_655 . ?
O19 C33 C32 118.1(10) . . ?
O19 C33 C40 122.8(9) . 14_655 ?
C32 C33 C40 119.0(8) . 14_655 ?
C33 C32 C40 120.0(9) . . ?
C33 C32 H32 120.0 . . ?
C40 C32 H32 120.0 . . ?
C11 O3A C35A 123.5(14) . . ?
C14 O2A C23A 124.6(16) . . ?
O2A C23A H23D 109.5 . . ?
O2A C23A H23E 109.5 . . ?
H23D C23A H23E 109.5 . . ?
O2A C23A H23F 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
O3A C35A H35D 105.8 . . ?
O3A C35A H35E 107.4 . . ?
H35D C35A H35E 109.5 . . ?
O3A C35A H35F 115.1 . . ?
H35D C35A H35F 109.5 . . ?
H35E C35A H35F 109.4 . . ?
C33A O19A C34A 124.2(12) . . ?
C33 O19 C34 119.5(12) . . ?
C40 C32A C33A 121.1(11) . . ?
C40 C32A C33A 45.4(5) . 14_655 ?
C40 C32A H32A 119.4 . . ?
C33A C32A H32A 119.4 . . ?
C33A C32A H32A 139.7 14_655 . ?
C40 C33A O19A 116.7(9) 14_655 . ?
C40 C33A C32A 123.5(9) 14_655 . ?
O19A C33A C32A 119.6(10) . . ?
O19 C34 H34A 109.5 . . ?
O19 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
O19 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O19A C34A H34D 94.3 . . ?
O19A C34A H34E 110.1 . . ?
H34D C34A H34E 109.5 . . ?
O19A C34A H34F 122.7 . . ?
H34D C34A H34F 109.4 . . ?
H34E C34A H34F 109.5 . . ?
H20A O20 H20B 104.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C1 O4 -2.1(9) 1_554 . . . ?
Dy1 O1 C1 C5 179.1(7) 1_554 . . . ?
C5 C2 C4 C8 -3.9(11) . . . . ?
C5 C2 C4 C3 174.5(7) . . . . ?
O12 C3 C4 C8 1.6(10) . . . . ?
O11 C3 C4 C8 -176.2(7) . . . . ?
O12 C3 C4 C2 -176.8(7) . . . . ?
O11 C3 C4 C2 5.4(11) . . . . ?
O1 C1 O4 Dy1 2.2(9) . . . 1_554 ?
C5 C1 O4 Dy1 -179.0(6) . . . 1_554 ?
C4 C2 C5 C6 2.5(12) . . . . ?
C4 C2 C5 C1 -173.8(7) . . . . ?
O4 C1 C5 C2 148.2(8) . . . . ?
O1 C1 C5 C2 -33.0(12) . . . . ?
O4 C1 C5 C6 -28.1(13) . . . . ?
O1 C1 C5 C6 150.7(8) . . . . ?
C2 C5 C6 C7 0.8(13) . . . . ?
C1 C5 C6 C7 177.1(7) . . . . ?
C5 C6 C7 C8 -2.6(12) . . . . ?
C5 C6 C7 C9 178.6(8) . . . . ?
C2 C4 C8 C7 2.0(11) . . . . ?
C3 C4 C8 C7 -176.4(7) . . . . ?
C6 C7 C8 C4 1.1(11) . . . . ?
C9 C7 C8 C4 179.9(7) . . . . ?
C6 C7 C9 C11 -138.1(8) . . . . ?
C8 C7 C9 C11 43.2(11) . . . . ?
C6 C7 C9 C10 44.1(11) . . . . ?
C8 C7 C9 C10 -134.7(8) . . . . ?
C10 C9 C11 O3A 178.0(12) . . . . ?
C7 C9 C11 O3A 0.0(15) . . . . ?
C10 C9 C11 C12 -0.8(11) . . . . ?
C7 C9 C11 C12 -178.7(7) . . . . ?
O12 C3 O11 Dy2 -7(3) . . . . ?
C4 C3 O11 Dy2 171(2) . . . . ?
C35 O3 C10 C14 -12.9(16) . . . . ?
C35 O3 C10 C9 166.4(10) . . . . ?
C11 C9 C10 O3 -177.6(9) . . . . ?
C7 C9 C10 O3 0.3(12) . . . . ?
C11 C9 C10 C14 1.7(11) . . . . ?
C7 C9 C10 C14 179.6(7) . . . . ?
O3A C11 C12 C13 -179.9(11) . . . . ?
C9 C11 C12 C13 -1.1(11) . . . . ?
C9 C11 C12 O2 -177.0(8) . . . . ?
C23 O2 C12 C13 166.6(10) . . . . ?
C23 O2 C12 C11 -17.5(15) . . . . ?
O11 C3 O12 Dy1 -57.3(17) . . . 16_544 ?
C4 C3 O12 Dy1 125.1(11) . . . 16_544 ?
C11 C12 C13 C14 2.0(11) . . . . ?
O2 C12 C13 C14 177.8(8) . . . . ?
C11 C12 C13 C15 179.3(7) . . . . ?
O2 C12 C13 C15 -4.8(12) . . . . ?
O3 C10 C14 C13 178.5(9) . . . . ?
C9 C10 C14 C13 -0.8(11) . . . . ?
C9 C10 C14 O2A -174.3(12) . . . . ?
C12 C13 C14 C10 -1.1(11) . . . . ?
C15 C13 C14 C10 -178.5(7) . . . . ?
C12 C13 C14 O2A 171.8(13) . . . . ?
C15 C13 C14 O2A -5.6(15) . . . . ?
C12 C13 C15 C20 -41.1(11) . . . . ?
C14 C13 C15 C20 136.2(8) . . . . ?
C12 C13 C15 C16 143.1(8) . . . . ?
C14 C13 C15 C16 -39.6(11) . . . . ?
C20 C19 C18 C17 -1.4(12) . . . . ?
C22 C19 C18 C17 -178.1(7) . . . . ?
C19 C18 C17 C16 1.1(11) . . . . ?
C19 C18 C17 C21 178.5(7) . . . . ?
C18 C17 C16 C15 -0.2(11) . . . . ?
C21 C17 C16 C15 -177.6(7) . . . . ?
C20 C15 C16 C17 -0.4(11) . . . . ?
C13 C15 C16 C17 175.6(7) . . . . ?
C16 C15 C20 C19 0.1(12) . . . . ?
C13 C15 C20 C19 -175.8(8) . . . . ?
C18 C19 C20 C15 0.8(13) . . . . ?
C22 C19 C20 C15 177.5(7) . . . . ?
Dy2 O5 C21 O6 3(3) 12 . . . ?
Dy2 O5 C21 C17 -176.4(18) 12 . . . ?
Dy1 O6 C21 O5 32(3) . . . . ?
Dy1 O6 C21 C17 -148.5(18) . . . . ?
C16 C17 C21 O5 -1.1(11) . . . . ?
C18 C17 C21 O5 -178.5(7) . . . . ?
C16 C17 C21 O6 179.6(7) . . . . ?
C18 C17 C21 O6 2.2(11) . . . . ?
Dy2 O10 C22 O9 6.1(9) 1_556 . . . ?
Dy2 O10 C22 C19 -169.9(6) 1_556 . . . ?
Dy2 O9 C22 O10 -5.8(9) 1_556 . . . ?
Dy2 O9 C22 C19 170.2(6) 1_556 . . . ?
C20 C19 C22 O10 14.3(12) . . . . ?
C18 C19 C22 O10 -169.0(8) . . . . ?
C20 C19 C22 O9 -161.8(8) . . . . ?
C18 C19 C22 O9 14.9(12) . . . . ?
Dy2 O15 C24 O16 -77.9(18) . . . . ?
Dy2 O15 C24 C25 101.3(16) . . . . ?
Dy1 O16 C24 O15 54.8(9) 7_553 . . . ?
Dy1 O16 C24 C25 -124.4(5) 7_553 . . . ?
O15 C24 C25 C26 -157.9(7) . . . . ?
O16 C24 C25 C26 21.4(10) . . . . ?
O15 C24 C25 C27 17.5(10) . . . . ?
O16 C24 C25 C27 -163.2(7) . . . . ?
C27 C25 C26 C31 -0.4(11) . . . . ?
C24 C25 C26 C31 175.1(7) . . . . ?
C26 C25 C27 C28 -0.9(12) . . . . ?
C24 C25 C27 C28 -176.3(7) . . . . ?
C25 C27 C28 C30 1.9(12) . . . . ?
C25 C27 C28 C29 -177.4(6) . . . . ?
Dy2 O18 C29 O17 40.5(9) 6_655 . . . ?
Dy2 O18 C29 C28 -139.1(5) 6_655 . . . ?
C30 C28 C29 O17 -175.2(7) . . . . ?
C27 C28 C29 O17 4.2(10) . . . . ?
C30 C28 C29 O18 4.4(10) . . . . ?
C27 C28 C29 O18 -176.3(7) . . . . ?
C27 C28 C30 C31 -1.7(12) . . . . ?
C29 C28 C30 C31 177.6(7) . . . . ?
C28 C30 C31 C26 0.5(12) . . . . ?
C28 C30 C31 C40 -179.7(7) . . . . ?
C25 C26 C31 C30 0.6(11) . . . . ?
C25 C26 C31 C40 -179.2(7) . . . . ?
C30 C31 C40 C32A -118.9(9) . . . . ?
C26 C31 C40 C32A 60.9(11) . . . . ?
C30 C31 C40 C33A 126.9(10) . . . 14_655 ?
C26 C31 C40 C33A -53.3(12) . . . 14_655 ?
C30 C31 C40 C32 -58.6(10) . . . . ?
C26 C31 C40 C32 121.2(8) . . . . ?
C30 C31 C40 C33 61.9(11) . . . 14_655 ?
C26 C31 C40 C33 -118.3(9) . . . 14_655 ?
O19 C33 C32 C40 180.00(4) . . . . ?
C40 C33 C32 C40 3.4(19) 14_655 . . . ?
C33 C40 C32 C33 46.5(11) 14_655 . . . ?
C31 C40 C32 C33 177.2(11) . . . . ?
C9 C11 O3A C35A -158.2(17) . . . . ?
C12 C11 O3A C35A 21(2) . . . . ?
C10 C14 O2A C23A -3(3) . . . . ?
C13 C14 O2A C23A -176.6(17) . . . . ?
C32 C33 O19 C34 -90.2(19) . . . . ?
C40 C33 O19 C34 86.3(17) 14_655 . . . ?
C33A C40 C32A C33A -47.7(11) 14_655 . . . ?
C31 C40 C32A C33A -178.3(11) . . . . ?
C31 C40 C32A C33A -130.7(8) . . . 14_655 ?
C34A O19A C33A C40 -78(2) . . . 14_655 ?
C34A O19A C33A C32A 97(2) . . . . ?
C40 C32A C33A C40 -6(2) . . . 14_655 ?
C33A C32A C33A C40 -37.7(17) 14_655 . . 14_655 ?
C40 C32A C33A O19A 180.00(5) . . . . ?
C33A C32A C33A O19A 148.2(7) 14_655 . . . ?

_refine_diff_density_max         0.922
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.091



####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2326599'
loop_
_audit_author_name
_audit_author_address
'YaQing Liao'
;Jiangxi university of science and technology
China
;
_audit_update_record             
;
2024-01-19 deposited with the CCDC.	2024-03-07 downloaded from the CCDC.
;
_audit_creation_date             2024-01-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H17 Eu O11, 2(H2 O)'
_chemical_formula_sum            'C24 H21 Eu O13'
_chemical_formula_weight         669.37
_chemical_melting_point          ?
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'
Eu Eu -0.1578 3.6682 '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'

_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                   10.0739(5)
_cell_length_b                   10.1946(5)
_cell_length_c                   12.6937(6)
_cell_angle_alpha                76.5070(10)
_cell_angle_beta                 86.196(2)
_cell_angle_gamma                71.8560(10)
_cell_volume                     1204.59(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6747
_cell_measurement_temperature    297.0
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      3.26
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.675
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.845
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       blocky
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0625
_diffrn_reflns_av_unetI/netI     0.0805
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17781
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.595
_diffrn_reflns_theta_min         2.996
_diffrn_ambient_temperature      297.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4408
_reflns_number_total             5553
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.407
_refine_diff_density_min         -1.398
_refine_diff_density_rms         0.184
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         5553
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0409
_refine_ls_restrained_S_all      1.073
_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)+(0.0098P)²+1.5657P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0596
_refine_ls_wR_factor_ref         0.0656
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 H12B-H13A
 2.3 with sigma of 0.01
3.a Free rotating group:
 O13(H13A,H13B), O12(H12A,H12B)
3.b Rotating group:
 O9(H9A,H9B)
3.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C8(H8), C10(H10), C14(H14), C15(H15), C18(H18), C22(H22)
3.d Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C)
3.e Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_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
Eu1 Eu 0.35784(3) 0.68353(2) 0.43432(2) 0.01547(7) Uani 1 1 d . . . . .
O1 O 1.1019(4) 0.8750(5) 0.1797(3) 0.0564(13) Uani 1 1 d . . . . .
H1 H 1.176479 0.883528 0.194113 0.085 Uiso 1 1 calc R U . . .
C1 C 0.7247(5) 0.5361(5) 0.4113(4) 0.0218(11) Uani 1 1 d . . . . .
O2 O 1.1424(3) 0.7197(4) 0.3373(3) 0.0398(10) Uani 1 1 d . . . . .
C2 C 0.7703(5) 0.6357(5) 0.3226(3) 0.0227(11) Uani 1 1 d . . . . .
O3 O 0.5981(3) 0.5689(3) 0.4428(2) 0.0264(8) Uani 1 1 d . . . . .
C3 C 0.9010(5) 0.6516(5) 0.3244(4) 0.0266(11) Uani 1 1 d . . . . .
H3 H 0.965167 0.594513 0.378425 0.032 Uiso 1 1 calc R U . . .
O4 O 0.8082(3) 0.4192(3) 0.4549(3) 0.0339(9) Uani 1 1 d . . . . .
C4 C 0.9357(5) 0.7538(5) 0.2445(4) 0.0274(12) Uani 1 1 d . . . . .
O5 O 0.4044(4) 0.5268(3) 0.3217(3) 0.0330(9) Uani 1 1 d . . . . .
C5 C 1.0697(5) 0.7799(5) 0.2574(4) 0.0286(12) Uani 1 1 d . . . . .
C6 C 0.8424(5) 0.8341(5) 0.1600(4) 0.0291(12) Uani 1 1 d . . . . .
H6 H 0.868243 0.899669 0.105240 0.035 Uiso 1 1 calc R U . . .
O6 O 0.5637(3) 0.3206(3) 0.3967(2) 0.0276(8) Uani 1 1 d . . . . .
O7 O 0.4541(3) -0.1154(3) 0.3946(3) 0.0325(9) Uani 1 1 d . . . . .
C7 C 0.7117(5) 0.8170(5) 0.1570(4) 0.0263(11) Uani 1 1 d . . . . .
C8 C 0.6766(5) 0.7176(5) 0.2398(4) 0.0266(11) Uani 1 1 d . . . . .
H8 H 0.588789 0.705725 0.239571 0.032 Uiso 1 1 calc R U . . .
O8 O 0.3304(3) -0.1283(3) 0.2645(2) 0.0274(8) Uani 1 1 d . . . . .
O9 O 0.1858(4) 0.8772(4) 0.4882(3) 0.0425(10) Uani 1 1 d . . . . .
H9A H 0.222566 0.909167 0.531798 0.064 Uiso 1 1 d R U . . .
H9B H 0.123345 0.846910 0.526363 0.064 Uiso 1 1 d R U . . .
C9 C 0.6053(5) 0.9082(5) 0.0735(4) 0.0294(12) Uani 1 1 d . . . . .
C10 C 0.5894(5) 1.0519(5) 0.0427(4) 0.0324(13) Uani 1 1 d . . . . .
H10 H 0.649409 1.088069 0.071433 0.039 Uiso 1 1 calc R U . . .
O10 O -0.0557(4) 0.3174(4) 0.1826(3) 0.0513(12) Uani 1 1 d . . . . .
C11 C 0.5138(5) 0.8572(5) 0.0298(4) 0.0281(12) Uani 1 1 d . . . . .
O11 O 0.5351(4) 0.7135(4) 0.0587(3) 0.0422(10) Uani 1 1 d . . . . .
C12 C 0.4583(5) 0.3936(5) 0.3367(4) 0.0257(11) Uani 1 1 d . . . . .
C13 C 0.3910(5) 0.3167(5) 0.2811(4) 0.0219(11) Uani 1 1 d . . . . .
C14 C 0.2863(5) 0.3919(5) 0.2041(4) 0.0251(11) Uani 1 1 d . . . . .
H14 H 0.261719 0.490267 0.185269 0.030 Uiso 1 1 calc R U . . .
C15 C 0.4234(5) 0.1706(5) 0.3123(4) 0.0241(11) Uani 1 1 d . . . . .
H15 H 0.492087 0.119568 0.364501 0.029 Uiso 1 1 calc R U . . .
C16 C 0.3538(5) 0.1006(5) 0.2658(4) 0.0224(11) Uani 1 1 d . . . . .
C17 C 0.3827(5) -0.0559(5) 0.3093(4) 0.0242(11) Uani 1 1 d . . . . .
C18 C 0.2526(5) 0.1754(5) 0.1866(4) 0.0237(11) Uani 1 1 d . . . . .
H18 H 0.207718 0.127546 0.154387 0.028 Uiso 1 1 calc R U . . .
C19 C 0.2184(5) 0.3228(5) 0.1554(4) 0.0238(11) Uani 1 1 d . . . . .
C20 C 0.1056(5) 0.4100(5) 0.0739(4) 0.0261(11) Uani 1 1 d . . . . .
C21 C -0.0312(5) 0.4075(5) 0.0889(4) 0.0305(12) Uani 1 1 d . . . . .
C22 C -0.1359(5) 0.4959(5) 0.0156(4) 0.0306(12) Uani 1 1 d . . . . .
H22 H -0.226908 0.492026 0.026627 0.037 Uiso 1 1 calc R U . . .
C23 C -0.1894(7) 0.2979(8) 0.1971(5) 0.087(3) Uani 1 1 d . . . . .
H23A H -0.206202 0.255142 0.141520 0.130 Uiso 1 1 calc R U . . .
H23B H -0.259322 0.387933 0.192846 0.130 Uiso 1 1 calc R U . . .
H23C H -0.193271 0.237248 0.266828 0.130 Uiso 1 1 calc R U . . .
C24 C 0.4248(6) 0.6640(6) 0.0409(5) 0.0589(19) Uani 1 1 d . . . . .
H24A H 0.416756 0.670115 -0.035113 0.088 Uiso 1 1 calc R U . . .
H24B H 0.339169 0.720927 0.066174 0.088 Uiso 1 1 calc R U . . .
H24C H 0.443104 0.567230 0.079648 0.088 Uiso 1 1 calc R U . . .
O13 O 0.2589(6) 0.0723(5) 0.5676(5) 0.0835(16) Uani 1 1 d G . . . .
H13A H 0.212227 0.142515 0.520151 0.125 Uiso 1 1 d DG U . . .
H13B H 0.336382 0.087734 0.571687 0.125 Uiso 1 1 d G U . . .
O12 O 0.0507(5) 0.2316(6) 0.4170(4) 0.101(2) Uani 1 1 d G . . . .
H12A H -0.002727 0.314742 0.416787 0.151 Uiso 1 1 d G U . . .
H12B H 0.094233 0.240315 0.357362 0.151 Uiso 1 1 d DG U . . .


_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
Eu1 Eu1 4.0042(5) 2_666 ?
Eu1 C1 2.905(4) 2_666 ?
Eu1 O2 2.451(3) 1_455 ?
Eu1 O3 2.335(3) . ?
Eu1 O3 2.600(3) 2_666 ?
Eu1 O4 2.442(3) 2_666 ?
Eu1 O5 2.308(3) . ?
Eu1 O6 2.322(3) 2_666 ?
Eu1 O7 2.467(3) 1_565 ?
Eu1 O8 2.494(3) 1_565 ?
Eu1 O9 2.390(3) . ?
Eu1 H9A 2.7985 . ?
Eu1 H9B 2.7948 . ?
Eu1 C17 2.834(4) 1_565 ?
O1 H1 0.8200 . ?
O1 C5 1.313(5) . ?
C1 C2 1.482(6) . ?
C1 O3 1.275(5) . ?
C1 O4 1.250(5) . ?
O2 C5 1.212(5) . ?
C2 C3 1.379(6) . ?
C2 C8 1.387(6) . ?
C3 H3 0.9300 . ?
C3 C4 1.387(6) . ?
C4 C5 1.481(6) . ?
C4 C6 1.396(6) . ?
O5 C12 1.268(5) . ?
C6 H6 0.9300 . ?
C6 C7 1.385(6) . ?
O6 C12 1.269(5) . ?
O7 C17 1.258(5) . ?
C7 C8 1.391(6) . ?
C7 C9 1.486(6) . ?
C8 H8 0.9300 . ?
O8 C17 1.274(5) . ?
O9 H9A 0.8581 . ?
O9 H9B 0.8580 . ?
C9 C10 1.385(6) . ?
C9 C11 1.389(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.384(6) 2_675 ?
O10 C21 1.383(5) . ?
O10 C23 1.415(6) . ?
C11 O11 1.375(5) . ?
O11 C24 1.406(6) . ?
C12 C13 1.492(6) . ?
C13 C14 1.392(6) . ?
C13 C15 1.386(6) . ?
C14 H14 0.9300 . ?
C14 C19 1.382(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.383(6) . ?
C16 C17 1.502(6) . ?
C16 C18 1.387(6) . ?
C18 H18 0.9300 . ?
C18 C19 1.397(6) . ?
C19 C20 1.500(6) . ?
C20 C21 1.387(6) . ?
C20 C22 1.390(6) 2_565 ?
C21 C22 1.392(6) . ?
C22 H22 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
O13 H13A 0.8500 . ?
O13 H13B 0.8501 . ?
O12 H12A 0.8499 . ?
O12 H12B 0.8496 . ?

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
Eu1 Eu1 H9A 128.1 2_666 . ?
Eu1 Eu1 H9B 130.2 2_666 . ?
C1 Eu1 Eu1 59.32(9) 2_666 2_666 ?
C1 Eu1 H9A 97.6 2_666 . ?
C1 Eu1 H9B 79.2 2_666 . ?
O2 Eu1 Eu1 128.05(8) 1_455 2_666 ?
O2 Eu1 C1 85.33(11) 1_455 2_666 ?
O2 Eu1 O3 102.97(10) 1_455 2_666 ?
O2 Eu1 O7 115.88(10) 1_455 1_565 ?
O2 Eu1 O8 68.59(10) 1_455 1_565 ?
O2 Eu1 H9A 90.4 1_455 . ?
O2 Eu1 H9B 68.1 1_455 . ?
O2 Eu1 C17 90.55(12) 1_455 1_565 ?
O3 Eu1 Eu1 38.04(7) . 2_666 ?
O3 Eu1 Eu1 33.60(7) 2_666 2_666 ?
O3 Eu1 C1 26.04(10) 2_666 2_666 ?
O3 Eu1 C1 97.21(12) . 2_666 ?
O3 Eu1 O2 143.81(12) . 1_455 ?
O3 Eu1 O3 71.64(12) . 2_666 ?
O3 Eu1 O4 122.33(10) . 2_666 ?
O3 Eu1 O7 77.93(11) . 1_565 ?
O3 Eu1 O8 103.00(10) . 1_565 ?
O3 Eu1 O9 141.21(12) . . ?
O3 Eu1 H9A 116.1 2_666 . ?
O3 Eu1 H9A 124.6 . . ?
O3 Eu1 H9B 103.5 2_666 . ?
O3 Eu1 H9B 147.9 . . ?
O3 Eu1 C17 94.43(12) . 1_565 ?
O3 Eu1 C17 165.54(11) 2_666 1_565 ?
O4 Eu1 Eu1 84.51(7) 2_666 2_666 ?
O4 Eu1 C1 25.19(11) 2_666 2_666 ?
O4 Eu1 O2 66.53(11) 2_666 1_455 ?
O4 Eu1 O3 51.12(10) 2_666 2_666 ?
O4 Eu1 O7 144.75(12) 2_666 1_565 ?
O4 Eu1 O8 132.52(10) 2_666 1_565 ?
O4 Eu1 H9A 81.2 2_666 . ?
O4 Eu1 H9B 57.5 2_666 . ?
O4 Eu1 C17 141.82(12) 2_666 1_565 ?
O5 Eu1 Eu1 68.58(7) . 2_666 ?
O5 Eu1 C1 84.61(13) . 2_666 ?
O5 Eu1 O2 71.55(12) . 1_455 ?
O5 Eu1 O3 72.76(11) . . ?
O5 Eu1 O3 72.76(10) . 2_666 ?
O5 Eu1 O4 94.21(12) . 2_666 ?
O5 Eu1 O6 135.49(10) . 2_666 ?
O5 Eu1 O7 120.46(12) . 1_565 ?
O5 Eu1 O8 85.75(11) . 1_565 ?
O5 Eu1 O9 145.08(12) . . ?
O5 Eu1 H9A 161.7 . . ?
O5 Eu1 H9B 137.4 . . ?
O5 Eu1 C17 107.45(13) . 1_565 ?
O6 Eu1 Eu1 66.91(7) 2_666 2_666 ?
O6 Eu1 C1 73.24(11) 2_666 2_666 ?
O6 Eu1 O2 141.13(12) 2_666 1_455 ?
O6 Eu1 O3 72.40(11) 2_666 . ?
O6 Eu1 O3 70.58(10) 2_666 2_666 ?
O6 Eu1 O4 81.89(11) 2_666 2_666 ?
O6 Eu1 O7 77.58(10) 2_666 1_565 ?
O6 Eu1 O8 128.68(10) 2_666 1_565 ?
O6 Eu1 O9 76.52(11) 2_666 . ?
O6 Eu1 H9A 61.8 2_666 . ?
O6 Eu1 H9B 76.1 2_666 . ?
O6 Eu1 C17 102.04(12) 2_666 1_565 ?
O7 Eu1 Eu1 112.53(7) 1_565 2_666 ?
O7 Eu1 C1 150.46(12) 1_565 2_666 ?
O7 Eu1 O3 141.09(10) 1_565 2_666 ?
O7 Eu1 O8 52.25(10) 1_565 1_565 ?
O7 Eu1 H9A 63.9 1_565 . ?
O7 Eu1 H9B 89.6 1_565 . ?
O7 Eu1 C17 26.31(11) 1_565 1_565 ?
O8 Eu1 Eu1 137.33(7) 1_565 2_666 ?
O8 Eu1 C1 153.89(11) 1_565 2_666 ?
O8 Eu1 O3 158.51(10) 1_565 2_666 ?
O8 Eu1 H9A 84.4 1_565 . ?
O8 Eu1 H9B 91.8 1_565 . ?
O8 Eu1 C17 26.69(11) 1_565 1_565 ?
O9 Eu1 Eu1 139.92(8) . 2_666 ?
O9 Eu1 C1 95.45(13) . 2_666 ?
O9 Eu1 O2 73.65(13) . 1_455 ?
O9 Eu1 O3 118.58(11) . 2_666 ?
O9 Eu1 O4 74.37(12) . 2_666 ?
O9 Eu1 O7 73.16(12) . 1_565 ?
O9 Eu1 O8 79.02(11) . 1_565 ?
O9 Eu1 H9A 16.8 . . ?
O9 Eu1 H9B 16.8 . . ?
O9 Eu1 C17 69.88(13) . 1_565 ?
H9A Eu1 H9B 28.0 . . ?
C17 Eu1 Eu1 132.35(10) 1_565 2_666 ?
C17 Eu1 C1 165.33(13) 1_565 2_666 ?
C17 Eu1 H9A 68.3 1_565 . ?
C17 Eu1 H9B 86.2 1_565 . ?
C5 O1 H1 109.5 . . ?
C2 C1 Eu1 172.5(3) . 2_666 ?
O3 C1 Eu1 63.5(2) . 2_666 ?
O3 C1 C2 119.7(4) . . ?
O4 C1 Eu1 56.2(2) . 2_666 ?
O4 C1 C2 120.9(4) . . ?
O4 C1 O3 119.3(4) . . ?
C5 O2 Eu1 147.6(3) . 1_655 ?
C3 C2 C1 120.9(4) . . ?
C3 C2 C8 120.3(4) . . ?
C8 C2 C1 118.8(4) . . ?
Eu1 O3 Eu1 108.36(12) . 2_666 ?
C1 O3 Eu1 90.5(2) . 2_666 ?
C1 O3 Eu1 158.1(3) . . ?
C2 C3 H3 120.4 . . ?
C2 C3 C4 119.1(4) . . ?
C4 C3 H3 120.4 . . ?
C1 O4 Eu1 98.6(3) . 2_666 ?
C3 C4 C5 117.2(4) . . ?
C3 C4 C6 120.4(4) . . ?
C6 C4 C5 122.2(4) . . ?
C12 O5 Eu1 133.6(3) . . ?
O1 C5 C4 116.2(4) . . ?
O2 C5 O1 122.5(5) . . ?
O2 C5 C4 121.3(4) . . ?
C4 C6 H6 119.7 . . ?
C7 C6 C4 120.6(4) . . ?
C7 C6 H6 119.7 . . ?
C12 O6 Eu1 135.9(3) . 2_666 ?
C17 O7 Eu1 93.4(3) . 1_545 ?
C6 C7 C8 118.3(4) . . ?
C6 C7 C9 122.2(4) . . ?
C8 C7 C9 119.4(4) . . ?
C2 C8 C7 121.2(4) . . ?
C2 C8 H8 119.4 . . ?
C7 C8 H8 119.4 . . ?
C17 O8 Eu1 91.7(3) . 1_545 ?
Eu1 O9 H9A 109.7 . . ?
Eu1 O9 H9B 109.4 . . ?
H9A O9 H9B 104.1 . . ?
C10 C9 C7 119.2(4) . . ?
C10 C9 C11 118.0(4) . . ?
C11 C9 C7 122.6(4) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 C9 121.5(4) 2_675 . ?
C11 C10 H10 119.3 2_675 . ?
C21 O10 C23 118.4(4) . . ?
C10 C11 C9 120.5(4) 2_675 . ?
O11 C11 C9 116.8(4) . . ?
O11 C11 C10 122.7(4) . 2_675 ?
C11 O11 C24 117.6(4) . . ?
O5 C12 O6 125.0(4) . . ?
O5 C12 C13 117.4(4) . . ?
O6 C12 C13 117.6(4) . . ?
C14 C13 C12 120.2(4) . . ?
C15 C13 C12 120.3(4) . . ?
C15 C13 C14 119.3(4) . . ?
C13 C14 H14 119.5 . . ?
C19 C14 C13 121.0(4) . . ?
C19 C14 H14 119.5 . . ?
C13 C15 H15 119.9 . . ?
C16 C15 C13 120.1(4) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 C17 118.2(4) . . ?
C15 C16 C18 120.5(4) . . ?
C18 C16 C17 121.2(4) . . ?
O7 C17 Eu1 60.3(2) . 1_545 ?
O7 C17 O8 119.3(4) . . ?
O7 C17 C16 119.4(4) . . ?
O8 C17 Eu1 61.6(2) . 1_545 ?
O8 C17 C16 121.2(4) . . ?
C16 C17 Eu1 160.5(3) . 1_545 ?
C16 C18 H18 120.1 . . ?
C16 C18 C19 119.8(4) . . ?
C19 C18 H18 120.1 . . ?
C14 C19 C18 119.2(4) . . ?
C14 C19 C20 118.4(4) . . ?
C18 C19 C20 122.3(4) . . ?
C21 C20 C19 121.9(4) . . ?
C21 C20 C22 118.5(4) . 2_565 ?
C22 C20 C19 119.5(4) 2_565 . ?
O10 C21 C20 115.6(4) . . ?
O10 C21 C22 123.4(4) . . ?
C20 C21 C22 120.9(4) . . ?
C20 C22 C21 120.6(4) 2_565 . ?
C20 C22 H22 119.7 2_565 . ?
C21 C22 H22 119.7 . . ?
O10 C23 H23A 109.5 . . ?
O10 C23 H23B 109.5 . . ?
O10 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O11 C24 H24A 109.5 . . ?
O11 C24 H24B 109.5 . . ?
O11 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
H13A O13 H13B 104.5 . . ?
H12A O12 H12B 104.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 C1 O3 Eu1 -150.0(8) 2_666 . . . ?
Eu1 O2 C5 O1 -2.7(10) 1_655 . . . ?
Eu1 O2 C5 C4 179.9(4) 1_655 . . . ?
Eu1 O5 C12 O6 -41.0(7) . . . . ?
Eu1 O5 C12 C13 137.9(4) . . . . ?
Eu1 O6 C12 O5 41.6(7) 2_666 . . . ?
Eu1 O6 C12 C13 -137.3(4) 2_666 . . . ?
Eu1 O7 C17 O8 -18.8(5) 1_545 . . . ?
Eu1 O7 C17 C16 157.5(4) 1_545 . . . ?
Eu1 O8 C17 O7 18.6(5) 1_545 . . . ?
Eu1 O8 C17 C16 -157.7(4) 1_545 . . . ?
C1 C2 C3 C4 -174.9(5) . . . . ?
C1 C2 C8 C7 177.2(5) . . . . ?
C2 C1 O3 Eu1 172.3(4) . . . 2_666 ?
C2 C1 O3 Eu1 22.4(11) . . . . ?
C2 C1 O4 Eu1 -171.8(4) . . . 2_666 ?
C2 C3 C4 C5 172.3(4) . . . . ?
C2 C3 C4 C6 -3.6(8) . . . . ?
O3 C1 C2 C3 143.0(5) . . . . ?
O3 C1 C2 C8 -34.3(7) . . . . ?
O3 C1 O4 Eu1 7.2(5) . . . 2_666 ?
C3 C2 C8 C7 0.0(7) . . . . ?
C3 C4 C5 O1 178.6(5) . . . . ?
C3 C4 C5 O2 -3.8(8) . . . . ?
C3 C4 C6 C7 2.7(8) . . . . ?
O4 C1 C2 C3 -38.0(7) . . . . ?
O4 C1 C2 C8 144.8(5) . . . . ?
O4 C1 O3 Eu1 -6.7(4) . . . 2_666 ?
O4 C1 O3 Eu1 -156.7(6) . . . . ?
C4 C6 C7 C8 -0.4(8) . . . . ?
C4 C6 C7 C9 175.0(5) . . . . ?
O5 C12 C13 C14 8.9(7) . . . . ?
O5 C12 C13 C15 -165.4(4) . . . . ?
C5 C4 C6 C7 -173.0(5) . . . . ?
C6 C4 C5 O1 -5.6(8) . . . . ?
C6 C4 C5 O2 172.0(5) . . . . ?
C6 C7 C8 C2 -0.9(7) . . . . ?
C6 C7 C9 C10 -40.1(7) . . . . ?
C6 C7 C9 C11 144.4(5) . . . . ?
O6 C12 C13 C14 -172.1(4) . . . . ?
O6 C12 C13 C15 13.6(7) . . . . ?
C7 C9 C10 C11 -176.0(5) . . . 2_675 ?
C7 C9 C11 C10 175.9(5) . . . 2_675 ?
C7 C9 C11 O11 -6.7(7) . . . . ?
C8 C2 C3 C4 2.3(7) . . . . ?
C8 C7 C9 C10 135.2(5) . . . . ?
C8 C7 C9 C11 -40.3(7) . . . . ?
C9 C7 C8 C2 -176.4(5) . . . . ?
C9 C11 O11 C24 162.9(5) . . . . ?
C10 C9 C11 C10 0.3(8) . . . 2_675 ?
C10 C9 C11 O11 177.7(4) . . . . ?
C10 C11 O11 C24 -19.8(7) 2_675 . . . ?
O10 C21 C22 C20 176.2(5) . . . 2_565 ?
C11 C9 C10 C11 -0.3(9) . . . 2_675 ?
C12 C13 C14 C19 -177.0(5) . . . . ?
C12 C13 C15 C16 175.5(4) . . . . ?
C13 C14 C19 C18 2.0(7) . . . . ?
C13 C14 C19 C20 179.5(4) . . . . ?
C13 C15 C16 C17 -174.4(4) . . . . ?
C13 C15 C16 C18 1.0(7) . . . . ?
C14 C13 C15 C16 1.1(7) . . . . ?
C14 C19 C20 C21 -118.9(5) . . . . ?
C14 C19 C20 C22 56.3(7) . . . 2_565 ?
C15 C13 C14 C19 -2.6(7) . . . . ?
C15 C16 C17 Eu1 93.0(10) . . . 1_545 ?
C15 C16 C17 O7 9.3(7) . . . . ?
C15 C16 C17 O8 -174.5(4) . . . . ?
C15 C16 C18 C19 -1.6(7) . . . . ?
C16 C18 C19 C14 0.1(7) . . . . ?
C16 C18 C19 C20 -177.3(4) . . . . ?
C17 C16 C18 C19 173.7(4) . . . . ?
C18 C16 C17 Eu1 -82.4(11) . . . 1_545 ?
C18 C16 C17 O7 -166.1(4) . . . . ?
C18 C16 C17 O8 10.2(7) . . . . ?
C18 C19 C20 C21 58.5(7) . . . . ?
C18 C19 C20 C22 -126.3(5) . . . 2_565 ?
C19 C20 C21 O10 -1.3(7) . . . . ?
C19 C20 C21 C22 175.9(4) . . . . ?
C20 C21 C22 C20 -0.7(9) . . . 2_565 ?
C22 C20 C21 O10 -176.5(5) 2_565 . . . ?
C22 C20 C21 C22 0.7(9) 2_565 . . . ?
C23 O10 C21 C20 -173.1(6) . . . . ?
C23 O10 C21 C22 9.8(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
