# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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. 
# 
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data_20201122-eu_a
_database_code_depnum_ccdc_archive 'CCDC 2020451'
loop_
_audit_author_name
_audit_author_address
Eu-MOF
;ShanXi Normal University
China
;
_audit_update_record             
;
2020-12-03 deposited with the CCDC.	2020-12-07 downloaded from the CCDC.
;
_audit_creation_date             2020-12-03
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6219)
;
# start Validation Reply Form
_vrf_PLAT601_20201122-eu_a       
;
PROBLEM:_ Unit Cell Contains Solvent Accessible VOIDS of .        139 Ang**3 
RESPONSE: Packing of frameworks create large holes, so the existence of solvent accessible 
voids is not a problem to be resolved.
;
# start Validation Reply Form
_vrf_PLAT972_20201122-eu_a       
;
PROBLEM:_ Check Calcd Resid. Dens.  0.84A   From Eu1            -2.68 eA-3  
RESPONSE: This could be due to the residual effect of heavy metal atoms.
;


_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C44 H29 Eu3 O21, H2 O, 1.5(C4 H8 O2)'
_chemical_formula_sum            'C50 H43 Eu3 O25'
_chemical_formula_weight         1499.72
_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 0.0181 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'
Eu Eu -8.9294 11.1857 '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                   22.7581(3)
_cell_length_b                   22.9065(2)
_cell_length_c                   12.9867(2)
_cell_angle_alpha                90
_cell_angle_beta                 114.4580(10)
_cell_angle_gamma                90
_cell_volume                     6162.56(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    20867
_cell_measurement_temperature    170.0
_cell_measurement_theta_max      75.7140
_cell_measurement_theta_min      4.2270
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    22.207
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.27123
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.35a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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    1.616
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0793
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            30965
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        64.998
_diffrn_reflns_theta_max         64.998
_diffrn_reflns_theta_min         4.268
_diffrn_ambient_temperature      170.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CrysAlisPro 1.171.40.35a (Rigaku OD, 2018)'
_diffrn_measurement_method       '/w scans with narrow frames'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4899
_reflns_number_total             5234
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.607
_refine_diff_density_min         -2.583
_refine_diff_density_rms         0.164
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         5234
_refine_ls_number_restraints     1254
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0496
_refine_ls_restrained_S_all      0.957
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0941P)²+48.7837P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1378
_refine_ls_wR_factor_ref         0.1398
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Restrained distances
 O12-C1A = O12-C1D = O13-C1B = O13-C1C
 1.43 with sigma of 0.02
 O15-C1E = O15-C1H = O16-C1F = O16-C1G
 1.43 with sigma of 0.02
 C1A-C1B = C1C-C1D
 1.51 with sigma of 0.02
 C1E-C1F = C1G-C1H
 1.51 with sigma of 0.02
 O12-C1B = O13-C1D
 2.41 with sigma of 0.04
 O15-C1G = O16-C1E
 2.42 with sigma of 0.04
 O12-C1C = O13-C1A
 2.42 with sigma of 0.04
 O15-C1F = O16-C1H
 2.41 with sigma of 0.04
 O12-C1B \\sim O12-C1C \\sim O13-C1A \\sim O13-C1D
 with sigma of 0.04
 C1E-C1F \\sim C1G-C1H
 with sigma of 0.02
 C1A-C1B \\sim C1C-C1D
 with sigma of 0.02
 O15-C1F \\sim O15-C1G \\sim O16-C1E \\sim O16-C1H
 with sigma of 0.04
 O12-C1A \\sim O12-C1D \\sim O13-C1B \\sim O13-C1C
 with sigma of 0.02
 O15-C1E \\sim O15-C1H \\sim O16-C1F \\sim O16-C1G
 with sigma of 0.02
 C1A-C1C \\sim C1B-C1D
 with sigma of 0.04
 C1E-C1G \\sim C1F-C1H
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 3A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 3A
O12 \\sim O13 \\sim C1A \\sim C1B \\sim C1C \\sim C1D: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
O15 \\sim O16 \\sim C1E \\sim C1F \\sim C1G \\sim C1H: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.1 and sigma
for terminal atoms of 0.2
Uanis(O11) \\sim Ueq: with sigma of 0.006 and sigma for terminal atoms of 0.012
4. Rigid body (RIGU) restrains
 O12, O13, C1A, C1B, C1C, C1D
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O15, O16, C1E, C1F, C1G, C1H
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1D, O12, C1A, C1B, C1C, O13
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5. Others
 Fixed Sof: O11(0.5) H11A(0.5) O14(0.5) H14A(0.5) H14B(0.5) O12(0.5) O13(0.5)
 C1A(0.5) H1AA(0.5) H1AB(0.5) C1B(0.5) H1BA(0.5) H1BB(0.5) C1C(0.5) H1CA(0.5)
 H1CB(0.5) C1D(0.5) H1DA(0.5) H1DB(0.5) O15(0.25) O16(0.25) C1E(0.25)
 H1EA(0.25) H1EB(0.25) C1F(0.25) H1FA(0.25) H1FB(0.25) C1G(0.25) H1GA(0.25)
 H1GB(0.25) C1H(0.25) H1HA(0.25) H1HB(0.25)
6.a Riding coordinates:
 O9(H9A,H9B), O10(H10A,H10B), O11(H11A), O14(H14A,H14B)
6.b Free rotating group:
 O15(O16,C1E,C1F,C1G,C1H)
6.c Secondary CH2 refined with riding coordinates:
 C1A(H1AA,H1AB), C1B(H1BA,H1BB), C1C(H1CA,H1CB), C1D(H1DA,H1DB), C1E(H1EA,
 H1EB), C1F(H1FA,H1FB), C1G(H1GA,H1GB), C1H(H1HA,H1HB)
6.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C7(H7), C10(H10), C11(H11), C12(H12), C14(H14), C16(H16),
 C18(H18), C22(H22)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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 0.70573(2) 0.19750(2) 0.85667(2) 0.01570(15) Uani 1 1 d . U . . .
Eu2 Eu 0.500000 0.09145(2) 0.750000 0.02070(16) Uani 1 2 d S TU P . .
O1 O 0.69105(19) 0.27734(18) 0.9768(4) 0.0241(9) Uani 1 1 d . U . . .
O2 O 0.6956(2) 0.3600(2) 1.0643(5) 0.0501(15) Uani 1 1 d . U . . .
O3 O 0.1668(2) 0.60666(19) 0.7871(4) 0.0340(11) Uani 1 1 d . U . . .
O4 O 0.0777(2) 0.55597(19) 0.6890(4) 0.0339(11) Uani 1 1 d . U . . .
O5 O 0.0898(2) 0.4032(2) 0.4248(4) 0.0323(10) Uani 1 1 d . U . . .
O6 O 0.1783(2) 0.34800(17) 0.4939(3) 0.0251(9) Uani 1 1 d . U . . .
O7 O 0.39184(19) 0.22641(19) 0.7695(4) 0.0314(10) Uani 1 1 d . U . . .
O8 O 0.4797(2) 0.1728(2) 0.8401(4) 0.0347(11) Uani 1 1 d . U . . .
O9 O 0.7163(4) 0.1881(3) 0.6765(6) 0.080(2) Uani 1 1 d . U . . .
H9A H 0.749349 0.167450 0.686841 0.120 Uiso 1 1 d R U . . .
H9B H 0.723199 0.221540 0.655361 0.120 Uiso 1 1 d R U . . .
O10 O 0.7461(3) 0.2879(3) 0.8144(4) 0.0590(17) Uani 1 1 d . U . . .
H10A H 0.735645 0.306678 0.752878 0.088 Uiso 1 1 d R U . . .
H10B H 0.776095 0.308068 0.863118 0.088 Uiso 1 1 d R U . . .
C1 C 0.4517(3) 0.2201(3) 0.8240(5) 0.0217(12) Uani 1 1 d . U . . .
C2 C 0.4905(3) 0.2745(3) 0.8670(5) 0.0207(11) Uani 1 1 d . U . . .
C3 C 0.5568(3) 0.2724(3) 0.9162(5) 0.0219(11) Uani 1 1 d . U . . .
H3 H 0.578766 0.236041 0.930070 0.026 Uiso 1 1 calc R U . . .
C4 C 0.5909(3) 0.3242(3) 0.9450(5) 0.0231(12) Uani 1 1 d . U . . .
C5 C 0.5596(3) 0.3779(3) 0.9270(5) 0.0238(12) Uani 1 1 d . U . . .
H5 H 0.584298 0.412683 0.950343 0.029 Uiso 1 1 calc R U . . .
C6 C 0.4925(3) 0.3812(3) 0.8752(5) 0.0233(12) Uani 1 1 d . U . . .
C7 C 0.4588(3) 0.3281(3) 0.8454(5) 0.0225(12) Uani 1 1 d . U . . .
H7 H 0.412938 0.328688 0.809496 0.027 Uiso 1 1 calc R U . . .
C8 C 0.6632(3) 0.3211(2) 0.9973(5) 0.0211(12) Uani 1 1 d . U . . .
C9 C 0.4554(3) 0.4372(3) 0.8455(5) 0.0267(13) Uani 1 1 d . U . . .
C10 C 0.4866(3) 0.4914(3) 0.8671(6) 0.0300(14) Uani 1 1 d . U . . .
H10 H 0.532437 0.492792 0.900624 0.036 Uiso 1 1 calc R U . . .
C11 C 0.4519(3) 0.5426(3) 0.8406(6) 0.0342(15) Uani 1 1 d . U . . .
H11 H 0.473979 0.578961 0.856022 0.041 Uiso 1 1 calc R U . . .
O11 O 0.5291(7) -0.0104(5) 0.8142(14) 0.063(3) Uani 0.5 1 d . U P A -1
H11A H 0.536478 -0.042709 0.852621 0.095 Uiso 0.5 1 d R U P A -1
C12 C 0.3849(3) 0.5416(3) 0.7914(6) 0.0319(14) Uani 1 1 d . U . . .
H12 H 0.361437 0.577192 0.774717 0.038 Uiso 1 1 calc R U . . .
C13 C 0.3518(3) 0.4884(3) 0.7662(6) 0.0303(14) Uani 1 1 d . U . . .
C14 C 0.3886(3) 0.4370(3) 0.7949(6) 0.0301(14) Uani 1 1 d . U . . .
H14 H 0.366767 0.400516 0.778964 0.036 Uiso 1 1 calc R U . . .
C15 C 0.2802(3) 0.4856(3) 0.7117(6) 0.0277(13) Uani 1 1 d . U . . .
C16 C 0.2428(3) 0.5257(3) 0.7389(6) 0.0283(13) Uani 1 1 d . U . . .
H16 H 0.263387 0.555397 0.792912 0.034 Uiso 1 1 calc R U . . .
C17 C 0.1761(3) 0.5229(3) 0.6888(6) 0.0279(13) Uani 1 1 d . U . . .
C18 C 0.1448(3) 0.4806(3) 0.6081(5) 0.0268(13) Uani 1 1 d . U . . .
H18 H 0.098985 0.479469 0.572267 0.032 Uiso 1 1 calc R U . . .
C19 C 0.1812(3) 0.4399(3) 0.5800(5) 0.0261(13) Uani 1 1 d . U . . .
C20 C 0.1467(3) 0.3940(3) 0.4918(5) 0.0245(12) Uani 1 1 d . U . . .
C21 C 0.1374(3) 0.5655(3) 0.7244(6) 0.0284(13) Uani 1 1 d . U . . .
C22 C 0.2482(3) 0.4424(3) 0.6313(6) 0.0293(13) Uani 1 1 d . U . . .
H22 H 0.272613 0.414418 0.611665 0.035 Uiso 1 1 calc R U . . .
O14 O 0.4048(10) 0.1494(10) 1.0048(15) 0.124(8) Uani 0.5 1 d . U P . .
H14A H 0.421920 0.123986 0.978071 0.186 Uiso 0.5 1 d R U P . .
H14B H 0.378010 0.176386 0.971511 0.186 Uiso 0.5 1 d R U P . .
O12 O 0.2910(7) 0.3742(8) 1.0890(10) 0.094(4) Uani 0.5 1 d D U P . .
O13 O 0.2875(8) 0.3483(8) 0.8796(10) 0.094(4) Uani 0.5 1 d D U P . .
C1A C 0.2508(12) 0.4098(9) 0.9918(13) 0.101(4) Uani 0.5 1 d D U P . .
H1AA H 0.275462 0.444278 0.986030 0.121 Uiso 0.5 1 calc R U P . .
H1AB H 0.212288 0.423711 1.001767 0.121 Uiso 0.5 1 calc R U P . .
C1B C 0.2303(9) 0.3741(11) 0.8863(12) 0.091(4) Uani 0.5 1 d D U P . .
H1BA H 0.200549 0.342756 0.887351 0.109 Uiso 0.5 1 calc R U P . .
H1BB H 0.207287 0.399003 0.819368 0.109 Uiso 0.5 1 calc R U P . .
C1C C 0.3299(13) 0.3137(10) 0.9756(13) 0.103(5) Uani 0.5 1 d D U P . .
H1CA H 0.369883 0.304308 0.966221 0.124 Uiso 0.5 1 calc R U P . .
H1CB H 0.308256 0.276514 0.977503 0.124 Uiso 0.5 1 calc R U P . .
C1D C 0.3471(9) 0.3452(12) 1.0847(12) 0.096(4) Uani 0.5 1 d D U P . .
H1DA H 0.365061 0.317149 1.148112 0.115 Uiso 0.5 1 calc R U P . .
H1DB H 0.380740 0.374688 1.094055 0.115 Uiso 0.5 1 calc R U P . .
O15 O 0.5180(14) -0.0830(10) 0.9884(17) 0.095(6) Uani 0.25 1 d DG U P B -2
O16 O 0.5055(14) -0.0330(9) 0.7814(16) 0.069(5) Uani 0.25 1 d DG U P B -2
C1E C 0.5170(15) -0.0211(10) 0.9741(18) 0.086(5) Uani 0.25 1 d DG U P B -2
H1EA H 0.543849 -0.002350 1.047309 0.104 Uiso 0.25 1 calc R U P B -2
H1EB H 0.472229 -0.006537 0.949173 0.104 Uiso 0.25 1 calc R U P B -2
C1F C 0.5425(14) -0.0051(9) 0.887(2) 0.068(5) Uani 0.25 1 d DG U P B -2
H1FA H 0.540454 0.037750 0.876848 0.082 Uiso 0.25 1 calc R U P B -2
H1FB H 0.588226 -0.017240 0.915014 0.082 Uiso 0.25 1 calc R U P B -2
C1G C 0.5065(16) -0.0949(8) 0.7957(18) 0.074(5) Uani 0.25 1 d DG U P B -2
H1GA H 0.551205 -0.109434 0.820617 0.089 Uiso 0.25 1 calc R U P B -2
H1GB H 0.479579 -0.113597 0.722512 0.089 Uiso 0.25 1 calc R U P B -2
C1H C 0.4810(14) -0.1109(9) 0.882(2) 0.083(6) Uani 0.25 1 d DG U P B -2
H1HA H 0.435233 -0.098808 0.854814 0.099 Uiso 0.25 1 calc R U P B -2
H1HB H 0.483060 -0.153761 0.892957 0.099 Uiso 0.25 1 calc R U P B -2


_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 4.1824(6) 7_657 ?
Eu1 O1 2.514(4) 7_657 ?
Eu1 O1 2.515(4) . ?
Eu1 O2 2.433(5) 7_657 ?
Eu1 O3 2.295(4) 3_545 ?
Eu1 O6 2.360(4) 8_556 ?
Eu1 O7 2.245(4) 2_656 ?
Eu1 O9 2.459(6) . ?
Eu1 O10 2.419(5) . ?
Eu1 C8 2.827(5) 7_657 ?
Eu2 O4 2.362(4) 4_546 ?
Eu2 O4 2.362(4) 3_545 ?
Eu2 O5 2.346(4) 8_556 ?
Eu2 O5 2.346(4) 7_556 ?
Eu2 O8 2.346(5) . ?
Eu2 O8 2.346(5) 2_656 ?
Eu2 O11 2.473(12) . ?
Eu2 H1FA 1.954(19) 2_656 ?
O1 C8 1.271(7) . ?
O2 C8 1.250(7) . ?
O3 C21 1.244(7) . ?
O4 C21 1.259(8) . ?
O5 C20 1.242(8) . ?
O6 C20 1.270(7) . ?
O7 C1 1.257(7) . ?
O8 C1 1.231(8) . ?
O9 H9A 0.8506 . ?
O9 H9B 0.8499 . ?
O10 H10A 0.8502 . ?
O10 H10B 0.8498 . ?
C1 C2 1.495(8) . ?
C2 C3 1.374(8) . ?
C2 C7 1.391(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.381(9) . ?
C4 C5 1.392(8) . ?
C4 C8 1.500(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.393(8) . ?
C6 C7 1.405(8) . ?
C6 C9 1.495(8) . ?
C7 H7 0.9500 . ?
C9 C10 1.399(9) . ?
C9 C14 1.385(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.377(9) . ?
C11 H11 0.9500 . ?
C11 C12 1.388(9) . ?
O11 H11A 0.8697 . ?
C12 H12 0.9500 . ?
C12 C13 1.398(9) . ?
C13 C14 1.403(9) . ?
C13 C15 1.484(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.395(9) . ?
C15 C22 1.405(8) . ?
C16 H16 0.9500 . ?
C16 C17 1.383(9) . ?
C17 C18 1.388(8) . ?
C17 C21 1.510(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.392(9) . ?
C19 C20 1.513(8) . ?
C19 C22 1.389(9) . ?
C22 H22 0.9500 . ?
O14 H14A 0.8503 . ?
O14 H14B 0.8500 . ?
O12 C1A 1.463(13) . ?
O12 C1D 1.459(13) . ?
O13 C1B 1.465(13) . ?
O13 C1C 1.456(13) . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
C1A C1B 1.495(14) . ?
C1B H1BA 0.9900 . ?
C1B H1BB 0.9900 . ?
C1C H1CA 0.9900 . ?
C1C H1CB 0.9900 . ?
C1C C1D 1.491(14) . ?
C1D H1DA 0.9900 . ?
C1D H1DB 0.9900 . ?
O15 C1E 1.4285 . ?
O15 C1H 1.4334 . ?
O16 C1F 1.4330 . ?
O16 C1G 1.4279 . ?
C1E H1EA 0.9900 . ?
C1E H1EB 0.9900 . ?
C1E C1F 1.5097 . ?
C1F H1FA 0.9900 . ?
C1F H1FB 0.9900 . ?
C1G H1GA 0.9900 . ?
C1G H1GB 0.9900 . ?
C1G C1H 1.5093 . ?
C1H H1HA 0.9900 . ?
C1H H1HB 0.9900 . ?

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
O1 Eu1 Eu1 33.72(9) . 7_657 ?
O1 Eu1 Eu1 33.73(9) 7_657 7_657 ?
O1 Eu1 O1 67.45(15) 7_657 . ?
O1 Eu1 C8 26.73(15) 7_657 7_657 ?
O1 Eu1 C8 93.88(14) . 7_657 ?
O2 Eu1 Eu1 85.16(12) 7_657 7_657 ?
O2 Eu1 O1 117.94(15) 7_657 . ?
O2 Eu1 O1 52.48(14) 7_657 7_657 ?
O2 Eu1 O9 85.2(3) 7_657 . ?
O2 Eu1 C8 26.16(16) 7_657 7_657 ?
O3 Eu1 Eu1 146.82(13) 3_545 7_657 ?
O3 Eu1 O1 128.13(15) 3_545 7_657 ?
O3 Eu1 O1 140.79(16) 3_545 . ?
O3 Eu1 O2 79.26(15) 3_545 7_657 ?
O3 Eu1 O6 73.59(17) 3_545 8_556 ?
O3 Eu1 O9 73.7(2) 3_545 . ?
O3 Eu1 O10 143.85(19) 3_545 . ?
O3 Eu1 C8 104.80(16) 3_545 7_657 ?
O6 Eu1 Eu1 76.26(10) 8_556 7_657 ?
O6 Eu1 O1 84.08(14) 8_556 7_657 ?
O6 Eu1 O1 73.03(14) 8_556 . ?
O6 Eu1 O2 85.92(19) 8_556 7_657 ?
O6 Eu1 O9 147.2(2) 8_556 . ?
O6 Eu1 O10 142.51(17) 8_556 . ?
O6 Eu1 C8 87.82(16) 8_556 7_657 ?
O7 Eu1 Eu1 116.51(12) 2_656 7_657 ?
O7 Eu1 O1 148.18(15) 2_656 7_657 ?
O7 Eu1 O1 83.85(15) 2_656 . ?
O7 Eu1 O2 158.20(17) 2_656 7_657 ?
O7 Eu1 O3 82.88(16) 2_656 3_545 ?
O7 Eu1 O6 100.97(16) 2_656 8_556 ?
O7 Eu1 O9 77.8(3) 2_656 . ?
O7 Eu1 O10 86.3(2) 2_656 . ?
O7 Eu1 C8 169.78(17) 2_656 7_657 ?
O9 Eu1 Eu1 134.15(18) . 7_657 ?
O9 Eu1 O1 138.1(2) . . ?
O9 Eu1 O1 114.4(2) . 7_657 ?
O9 Eu1 C8 97.7(2) . 7_657 ?
O10 Eu1 Eu1 67.77(13) . 7_657 ?
O10 Eu1 O1 72.03(17) . 7_657 ?
O10 Eu1 O1 71.29(19) . . ?
O10 Eu1 O2 100.8(2) . 7_657 ?
O10 Eu1 O9 70.3(2) . . ?
O10 Eu1 C8 83.5(2) . 7_657 ?
C8 Eu1 Eu1 60.25(12) 7_657 7_657 ?
O4 Eu2 O4 139.7(2) 4_546 3_545 ?
O4 Eu2 O11 72.3(3) 4_546 . ?
O4 Eu2 O11 69.9(4) 3_545 . ?
O4 Eu2 H1FA 84.8(18) 4_546 2_656 ?
O4 Eu2 H1FA 70.0(19) 3_545 2_656 ?
O5 Eu2 O4 99.61(16) 7_556 3_545 ?
O5 Eu2 O4 82.48(17) 7_556 4_546 ?
O5 Eu2 O4 99.61(16) 8_556 4_546 ?
O5 Eu2 O4 82.48(17) 8_556 3_545 ?
O5 Eu2 O5 174.0(2) 8_556 7_556 ?
O5 Eu2 O11 112.3(4) 7_556 . ?
O5 Eu2 O11 73.7(4) 8_556 . ?
O5 Eu2 H1FA 45.5(16) 7_556 2_656 ?
O5 Eu2 H1FA 140.0(17) 8_556 2_656 ?
O8 Eu2 O4 140.36(15) . 3_545 ?
O8 Eu2 O4 140.36(15) 2_656 4_546 ?
O8 Eu2 O4 77.10(17) . 4_546 ?
O8 Eu2 O4 77.10(17) 2_656 3_545 ?
O8 Eu2 O5 75.42(16) 2_656 7_556 ?
O8 Eu2 O5 75.42(16) . 8_556 ?
O8 Eu2 O5 99.70(15) . 7_556 ?
O8 Eu2 O5 99.70(15) 2_656 8_556 ?
O8 Eu2 O8 74.8(3) . 2_656 ?
O8 Eu2 O11 131.4(4) . . ?
O8 Eu2 O11 146.8(4) 2_656 . ?
O8 Eu2 H1FA 143.1(18) . 2_656 ?
O8 Eu2 H1FA 101.6(15) 2_656 2_656 ?
O11 Eu2 H1FA 70.0(16) . 2_656 ?
Eu1 O1 Eu1 112.55(15) 7_657 . ?
C8 O1 Eu1 155.4(4) . . ?
C8 O1 Eu1 90.5(3) . 7_657 ?
C8 O2 Eu1 94.8(4) . 7_657 ?
C21 O3 Eu1 163.7(5) . 3_455 ?
C21 O4 Eu2 131.4(4) . 3_455 ?
C20 O5 Eu2 157.5(4) . 7_556 ?
C20 O6 Eu1 132.5(4) . 8_455 ?
C1 O7 Eu1 153.0(4) . 2_656 ?
C1 O8 Eu2 144.1(4) . . ?
Eu1 O9 H9A 109.1 . . ?
Eu1 O9 H9B 109.4 . . ?
H9A O9 H9B 106.4 . . ?
Eu1 O10 H10A 131.4 . . ?
Eu1 O10 H10B 124.1 . . ?
H10A O10 H10B 104.5 . . ?
O7 C1 C2 116.7(5) . . ?
O8 C1 O7 124.1(6) . . ?
O8 C1 C2 119.1(5) . . ?
C3 C2 C1 120.6(5) . . ?
C3 C2 C7 120.2(5) . . ?
C7 C2 C1 118.8(5) . . ?
C2 C3 H3 120.6 . . ?
C2 C3 C4 118.8(5) . . ?
C4 C3 H3 120.6 . . ?
C3 C4 C5 121.5(5) . . ?
C3 C4 C8 118.1(5) . . ?
C5 C4 C8 120.5(5) . . ?
C4 C5 H5 119.6 . . ?
C4 C5 C6 120.8(5) . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C7 116.8(5) . . ?
C5 C6 C9 124.0(5) . . ?
C7 C6 C9 119.2(5) . . ?
C2 C7 C6 121.9(5) . . ?
C2 C7 H7 119.0 . . ?
C6 C7 H7 119.0 . . ?
O1 C8 Eu1 62.8(3) . 7_657 ?
O1 C8 C4 119.4(5) . . ?
O2 C8 Eu1 59.1(3) . 7_657 ?
O2 C8 O1 120.4(5) . . ?
O2 C8 C4 120.1(5) . . ?
C4 C8 Eu1 165.0(4) . 7_657 ?
C10 C9 C6 121.6(5) . . ?
C14 C9 C6 120.7(6) . . ?
C14 C9 C10 117.7(6) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 C9 121.0(6) . . ?
C11 C10 H10 119.5 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.5(6) . . ?
C12 C11 H11 119.8 . . ?
Eu2 O11 H11A 163.3 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.4(6) . . ?
C13 C12 H12 119.8 . . ?
C12 C13 C14 117.7(6) . . ?
C12 C13 C15 121.8(6) . . ?
C14 C13 C15 120.5(6) . . ?
C9 C14 C13 122.7(6) . . ?
C9 C14 H14 118.6 . . ?
C13 C14 H14 118.6 . . ?
C16 C15 C13 121.1(5) . . ?
C16 C15 C22 117.9(6) . . ?
C22 C15 C13 121.0(5) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 C15 121.2(6) . . ?
C17 C16 H16 119.4 . . ?
C16 C17 C18 120.5(6) . . ?
C16 C17 C21 119.5(5) . . ?
C18 C17 C21 120.0(6) . . ?
C17 C18 H18 120.3 . . ?
C17 C18 C19 119.4(6) . . ?
C19 C18 H18 120.3 . . ?
C18 C19 C20 119.0(5) . . ?
C22 C19 C18 120.1(5) . . ?
C22 C19 C20 120.9(5) . . ?
O5 C20 O6 124.9(5) . . ?
O5 C20 C19 118.4(5) . . ?
O6 C20 C19 116.7(5) . . ?
O3 C21 O4 125.3(6) . . ?
O3 C21 C17 117.7(5) . . ?
O4 C21 C17 116.9(5) . . ?
C15 C22 H22 119.5 . . ?
C19 C22 C15 121.0(6) . . ?
C19 C22 H22 119.5 . . ?
H14A O14 H14B 130.1 . . ?
C1D O12 C1A 117.7(15) . . ?
C1C O13 C1B 117.3(15) . . ?
O12 C1A H1AA 109.8 . . ?
O12 C1A H1AB 109.8 . . ?
O12 C1A C1B 109.4(12) . . ?
H1AA C1A H1AB 108.3 . . ?
C1B C1A H1AA 109.8 . . ?
C1B C1A H1AB 109.8 . . ?
O13 C1B C1A 109.1(12) . . ?
O13 C1B H1BA 109.9 . . ?
O13 C1B H1BB 109.9 . . ?
C1A C1B H1BA 109.9 . . ?
C1A C1B H1BB 109.9 . . ?
H1BA C1B H1BB 108.3 . . ?
O13 C1C H1CA 109.3 . . ?
O13 C1C H1CB 109.3 . . ?
O13 C1C C1D 111.7(12) . . ?
H1CA C1C H1CB 107.9 . . ?
C1D C1C H1CA 109.3 . . ?
C1D C1C H1CB 109.3 . . ?
O12 C1D C1C 111.5(13) . . ?
O12 C1D H1DA 109.3 . . ?
O12 C1D H1DB 109.3 . . ?
C1C C1D H1DA 109.3 . . ?
C1C C1D H1DB 109.3 . . ?
H1DA C1D H1DB 108.0 . . ?
C1E O15 C1H 110.3 . . ?
C1G O16 C1F 110.3 . . ?
O15 C1E H1EA 109.6 . . ?
O15 C1E H1EB 109.6 . . ?
O15 C1E C1F 110.3 . . ?
H1EA C1E H1EB 108.1 . . ?
C1F C1E H1EA 109.6 . . ?
C1F C1E H1EB 109.6 . . ?
O16 C1F C1E 110.7 . . ?
O16 C1F H1FA 109.5 . . ?
O16 C1F H1FB 109.5 . . ?
C1E C1F H1FA 109.5 . . ?
C1E C1F H1FB 109.5 . . ?
H1FA C1F H1FB 108.1 . . ?
O16 C1G H1GA 109.6 . . ?
O16 C1G H1GB 109.6 . . ?
O16 C1G C1H 110.4 . . ?
H1GA C1G H1GB 108.1 . . ?
C1H C1G H1GA 109.6 . . ?
C1H C1G H1GB 109.6 . . ?
O15 C1H C1G 110.7 . . ?
O15 C1H H1HA 109.5 . . ?
O15 C1H H1HB 109.5 . . ?
C1G C1H H1HA 109.5 . . ?
C1G C1H H1HB 109.5 . . ?
H1HA C1H H1HB 108.1 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O9 H9A O12 0.85 2.10 2.796(18) 138.3 8 yes
O10 H10A O13 0.85 1.84 2.693(14) 179.2 2_656 yes
O10 H10B O6 0.85 1.94 2.740(7) 156.3 2_656 yes
O14 H14A O15 0.85 1.57 2.30(4) 142.4 5_657 yes

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 O1 C8 Eu1 -159.8(10) . . . 7_657 ?
Eu1 O1 C8 O2 -146.1(8) . . . . ?
Eu1 O1 C8 O2 13.6(7) 7_657 . . . ?
Eu1 O1 C8 C4 -163.2(5) 7_657 . . . ?
Eu1 O1 C8 C4 37.1(13) . . . . ?
Eu1 O2 C8 O1 -14.1(7) 7_657 . . . ?
Eu1 O2 C8 C4 162.6(5) 7_657 . . . ?
Eu1 O3 C21 O4 -71.9(19) 3_455 . . . ?
Eu1 O3 C21 C17 109.0(15) 3_455 . . . ?
Eu1 O6 C20 O5 58.5(9) 8_455 . . . ?
Eu1 O6 C20 C19 -123.0(5) 8_455 . . . ?
Eu1 O7 C1 O8 -21.4(14) 2_656 . . . ?
Eu1 O7 C1 C2 156.1(7) 2_656 . . . ?
Eu2 O4 C21 O3 -16.3(11) 3_455 . . . ?
Eu2 O4 C21 C17 162.7(4) 3_455 . . . ?
Eu2 O5 C20 O6 -48.9(15) 7_556 . . . ?
Eu2 O5 C20 C19 132.6(9) 7_556 . . . ?
Eu2 O8 C1 O7 58.6(10) . . . . ?
Eu2 O8 C1 C2 -118.8(6) . . . . ?
O7 C1 C2 C3 -172.6(6) . . . . ?
O7 C1 C2 C7 0.4(8) . . . . ?
O8 C1 C2 C3 5.0(9) . . . . ?
O8 C1 C2 C7 178.0(6) . . . . ?
C1 C2 C3 C4 173.9(5) . . . . ?
C1 C2 C7 C6 -174.8(6) . . . . ?
C2 C3 C4 C5 1.1(9) . . . . ?
C2 C3 C4 C8 -179.3(5) . . . . ?
C3 C2 C7 C6 -1.7(9) . . . . ?
C3 C4 C5 C6 -2.4(10) . . . . ?
C3 C4 C8 Eu1 -68.4(17) . . . 7_657 ?
C3 C4 C8 O1 25.8(9) . . . . ?
C3 C4 C8 O2 -150.9(7) . . . . ?
C4 C5 C6 C7 1.6(9) . . . . ?
C4 C5 C6 C9 -175.5(6) . . . . ?
C5 C4 C8 Eu1 111.3(15) . . . 7_657 ?
C5 C4 C8 O1 -154.5(6) . . . . ?
C5 C4 C8 O2 28.7(9) . . . . ?
C5 C6 C7 C2 0.4(9) . . . . ?
C5 C6 C9 C10 0.9(10) . . . . ?
C5 C6 C9 C14 -179.4(6) . . . . ?
C6 C9 C10 C11 -179.3(7) . . . . ?
C6 C9 C14 C13 179.6(6) . . . . ?
C7 C2 C3 C4 1.0(9) . . . . ?
C7 C6 C9 C10 -176.2(6) . . . . ?
C7 C6 C9 C14 3.5(9) . . . . ?
C8 C4 C5 C6 177.9(6) . . . . ?
C9 C6 C7 C2 177.7(6) . . . . ?
C9 C10 C11 C12 -0.1(11) . . . . ?
C10 C9 C14 C13 -0.7(10) . . . . ?
C10 C11 C12 C13 -1.2(11) . . . . ?
C11 C12 C13 C14 1.5(11) . . . . ?
C11 C12 C13 C15 -178.9(7) . . . . ?
C12 C13 C14 C9 -0.6(11) . . . . ?
C12 C13 C15 C16 -37.4(10) . . . . ?
C12 C13 C15 C22 142.9(7) . . . . ?
C13 C15 C16 C17 -179.6(7) . . . . ?
C13 C15 C22 C19 -179.8(6) . . . . ?
C14 C9 C10 C11 1.0(10) . . . . ?
C14 C13 C15 C16 142.2(7) . . . . ?
C14 C13 C15 C22 -37.5(10) . . . . ?
C15 C13 C14 C9 179.8(6) . . . . ?
C15 C16 C17 C18 -1.3(11) . . . . ?
C15 C16 C17 C21 177.4(6) . . . . ?
C16 C15 C22 C19 0.4(10) . . . . ?
C16 C17 C18 C19 1.7(10) . . . . ?
C16 C17 C21 O3 9.3(10) . . . . ?
C16 C17 C21 O4 -169.8(6) . . . . ?
C17 C18 C19 C20 -179.9(6) . . . . ?
C17 C18 C19 C22 -1.0(10) . . . . ?
C18 C17 C21 O3 -172.0(6) . . . . ?
C18 C17 C21 O4 8.9(10) . . . . ?
C18 C19 C20 O5 20.3(9) . . . . ?
C18 C19 C20 O6 -158.3(6) . . . . ?
C18 C19 C22 C15 0.0(10) . . . . ?
C20 C19 C22 C15 178.9(6) . . . . ?
C21 C17 C18 C19 -177.0(6) . . . . ?
C22 C15 C16 C17 0.2(10) . . . . ?
C22 C19 C20 O5 -158.5(6) . . . . ?
C22 C19 C20 O6 22.8(9) . . . . ?
O12 C1A C1B O13 -53(2) . . . . ?
O13 C1C C1D O12 43(3) . . . . ?
C1A O12 C1D C1C -49(3) . . . . ?
C1B O13 C1C C1D -50(3) . . . . ?
C1C O13 C1B C1A 55(3) . . . . ?
C1D O12 C1A C1B 54(3) . . . . ?
O15 C1E C1F O16 57.6 . . . . ?
O16 C1G C1H O15 -57.6 . . . . ?
C1E O15 C1H C1G 57.6 . . . . ?
C1F O16 C1G C1H 57.3 . . . . ?
C1G O16 C1F C1E -57.6 . . . . ?
C1H O15 C1E C1F -57.4 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
