# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_20161113sh1_0m
_database_code_depnum_ccdc_archive 'CCDC 2155522'
_audit_update_record             
;
2022-02-28 deposited with the CCDC.	2022-03-14 downloaded from the CCDC.
;
_audit_creation_date             2022-01-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C72 H39 Eu6 F8 N12 O25.5, 0.667(H9 O3), [+ solvents]'
_chemical_formula_sum            'C72 H45 Eu6 F8 N12 O27.50'
_chemical_formula_weight         2581.96
_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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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      cubic
_space_group_IT_number           225
_space_group_name_H-M_alt        'F m -3 m'
_space_group_name_Hall           '-F 4 2 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y, x+1/2, -z+1/2'
'-y, -x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'x, z+1/2, -y+1/2'
'-x, z+1/2, y+1/2'
'-x, -z+1/2, -y+1/2'
'x, -z+1/2, y+1/2'
'z, y+1/2, -x+1/2'
'z, -y+1/2, x+1/2'
'-z, y+1/2, x+1/2'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, x, -z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, -x, z+1/2'
'-y+1/2, x, z+1/2'
'x+1/2, z, -y+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, -z, -y+1/2'
'x+1/2, -z, y+1/2'
'z+1/2, y, -x+1/2'
'z+1/2, -y, x+1/2'
'-z+1/2, y, x+1/2'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, z'
'x+1/2, z+1/2, -y'
'-x+1/2, z+1/2, y'
'-x+1/2, -z+1/2, -y'
'x+1/2, -z+1/2, y'
'z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, x'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-y, -x+1/2, z+1/2'
'y, x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-x, -z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'-x, z+1/2, -y+1/2'
'-z, -y+1/2, x+1/2'
'-z, y+1/2, -x+1/2'
'z, -y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, x, -z+1/2'
'y+1/2, -x, -z+1/2'
'-x+1/2, -z, y+1/2'
'x+1/2, -z, -y+1/2'
'x+1/2, z, y+1/2'
'-x+1/2, z, -y+1/2'
'-z+1/2, -y, x+1/2'
'-z+1/2, y, -x+1/2'
'z+1/2, -y, -x+1/2'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
'-y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, -z'
'-x+1/2, -z+1/2, y'
'x+1/2, -z+1/2, -y'
'x+1/2, z+1/2, y'
'-x+1/2, z+1/2, -y'
'-z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, -x'
'z+1/2, y+1/2, x'

_cell_length_a                   27.498(6)
_cell_length_b                   27.498(6)
_cell_length_c                   27.498(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     20792(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9469
_cell_measurement_temperature    173.00
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   0.839
_shelx_estimated_absorpt_T_min   0.811
_exptl_absorpt_coefficient_mu    1.824
_exptl_absorpt_correction_T_max  0.0949
_exptl_absorpt_correction_T_min  0.0436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            pink
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    0.825
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4924
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0464
_diffrn_reflns_av_unetI/netI     0.0186
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            21440
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.481
_diffrn_reflns_theta_min         2.457
_diffrn_ambient_temperature      173.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON 100'
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE TXS PHOTON 100'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   TXS
_diffrn_source_type              'Rotaing Anode'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1147
_reflns_number_total             1231
_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       
;
SAINT V8.40B (Bruker, 2019)
;
_computing_data_collection       'Bruker BIS V6.2.1'
_computing_data_reduction        
;
SAINT V8.40B (Bruker, 2019)
;
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.555
_refine_diff_density_min         -0.660
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     49
_refine_ls_number_reflns         1231
_refine_ls_number_restraints     81
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0259
_refine_ls_restrained_S_all      1.254
_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)+(0.0443P)²+108.8968P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0744
_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,H) groups, All O(H,H,H) groups
2. Shared sites
{C4, N1}
3. Restrained distances
 H4A-O4 = O4-H4B
 0.87 with sigma of 0.02
 H4A-H4B
 1.371 with sigma of 0.04
4. Uiso/Uaniso restraints and constraints
O1 \\sim C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 2A
Uanis(O2) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O4) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O1) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C3) \\sim
Ueq, Uanis(C4) \\sim Ueq, Uanis(C5) \\sim Ueq: with sigma of 0.007 and sigma
for terminal atoms of 0.014
Uanis(C4) = Uanis(N1)
5. Others
 Fixed Sof: O2(0.03125) H2A(0.03125) H2B(0.03125) N1(0.25) H3A(0.25) H3B(0.25)
 C4(0.25) H4(0.25) O3(0.02083) H3C(0.02083) H3E(0.02083) H3D(0.02083)
 O4(0.02083) H4A(0.02083) H4B(0.02083) H4C(0.02083)
6.a Riding coordinates:
 O2(H2A,H2B), O3(H3C,H3E,H3D), O4(H4A,H4B,H4C)
6.b Aromatic/amide H refined with riding coordinates:
 C3(H3A), C3(H3B), C4(H4)
;
_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 0.500000 0.500000 0.60173(2) 0.01752(12) Uani 1 8 d S T P . .
F1 F 0.45340(6) 0.45340(6) 0.54660(6) 0.0206(6) Uani 1 6 d S T P . .
O1 O 0.57890(10) 0.500000 0.63684(10) 0.0469(7) Uani 1 2 d S TU P . .
O2 O 0.500000 0.500000 0.6954(8) 0.052(5) Uani 0.25 8 d S TU P . .
H2A H 0.525020 0.500000 0.714758 0.077 Uiso 0.0625 2 d R U P . .
H2B H 0.474980 0.500000 0.714758 0.077 Uiso 0.0625 2 d R U P . .
N1 N 0.6840(2) 0.500000 0.7443(2) 0.1028(18) Uani 0.5 2 d S T P A 2
C1 C 0.62204(14) 0.500000 0.62204(14) 0.0478(13) Uani 1 4 d S TU P . .
C2 C 0.66074(15) 0.500000 0.66074(15) 0.0630(17) Uani 1 4 d S TU P A .
C3 C 0.6490(2) 0.500000 0.7088(2) 0.0924(18) Uani 1 2 d S TU P . .
H3A H 0.615739 0.500000 0.717998 0.111 Uiso 0.5 2 calc R U P A 1
H3B H 0.615739 0.500000 0.717998 0.111 Uiso 0.5 2 calc R U P A 2
C4 C 0.6840(2) 0.500000 0.7443(2) 0.1028(18) Uani 0.5 2 d S TU P A 1
H4 H 0.675291 0.500000 0.777679 0.123 Uiso 0.5 2 calc R U P A 1
C5 C 0.73083(18) 0.500000 0.73083(18) 0.090(2) Uani 1 4 d S TU P . .
O3 O 0.6333(12) 0.3667(12) 0.6333(12) 0.070(13) Uani 0.125 6 d S T P B 1
H3C H 0.611844 0.388160 0.625200 0.105 Uiso 0.0417 2 d R U P B 1
H3E H 0.653194 0.346810 0.612830 0.105 Uiso 0.0417 2 d R U P B 1
H3D H 0.656244 0.375650 0.656240 0.105 Uiso 0.0417 2 d R U P B 1
O4 O 0.533(3) 0.500000 0.789(3) 0.08(3) Uani 0.0417 2 d DS TU P C 2
H4A H 0.556084 0.478440 0.795477 0.119 Uiso 0.0208 1 d DR U P C 2
H4B H 0.500004 0.500000 0.803977 0.119 Uiso 0.1666 8 d DR U P C 2
H4C H 0.544644 0.532730 0.786827 0.119 Uiso 0.0208 1 d R U P C 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 3.9561(10) 101_666 ?
Eu1 Eu1 3.9561(10) 9 ?
Eu1 Eu1 3.9561(10) 105_666 ?
Eu1 F1 2.3627(10) 2_665 ?
Eu1 F1 2.3627(10) . ?
Eu1 F1 2.3627(10) 99_565 ?
Eu1 F1 2.3627(10) 100_655 ?
Eu1 O1 2.375(3) 2_665 ?
Eu1 O1 2.375(3) . ?
Eu1 O1 2.375(3) 110 ?
Eu1 O1 2.375(3) 109_665 ?
Eu1 O2 2.58(2) . ?
O1 C1 1.254(4) . ?
O2 H2A 0.8692 . ?
O2 H2A 0.8692 109_665 ?
O2 H2A 0.8692 110 ?
O2 H2B 0.8692 . ?
N1 C3 1.370(7) . ?
N1 C5 1.338(7) . ?
C1 C2 1.505(7) . ?
C2 C3 1.360(7) 22_565 ?
C2 C3 1.360(7) . ?
C3 H3A 0.9500 . ?
C3 H3B 0.9500 . ?
C3 C4 1.370(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.338(7) . ?
C5 C5 1.491(14) 145_666 ?
O3 H3C 0.8643 6_566 ?
O3 H3C 0.8643 . ?
O3 H3C 0.8643 12_665 ?
O3 H3E 0.9565 . ?
O3 H3D 0.9251 . ?
O4 O4 1.29(12) 110 ?
O4 O4 1.29(12) 109_665 ?
O4 H4A 0.8819 99_565 ?
O4 H4A 0.8819 . ?
O4 H4B 1.0060 . ?
O4 H4C 0.9541 . ?

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 Eu1 90.0 105_666 9 ?
Eu1 Eu1 Eu1 60.0 105_666 101_666 ?
Eu1 Eu1 Eu1 60.0 101_666 9 ?
F1 Eu1 Eu1 85.97(6) 2_665 105_666 ?
F1 Eu1 Eu1 85.97(6) 99_565 105_666 ?
F1 Eu1 Eu1 33.15(3) 99_565 101_666 ?
F1 Eu1 Eu1 85.97(6) 2_665 101_666 ?
F1 Eu1 Eu1 85.97(6) . 9 ?
F1 Eu1 Eu1 33.15(3) . 105_666 ?
F1 Eu1 Eu1 33.15(3) 99_565 9 ?
F1 Eu1 Eu1 85.97(6) 100_655 9 ?
F1 Eu1 Eu1 85.97(6) 100_655 101_666 ?
F1 Eu1 Eu1 33.15(3) 2_665 9 ?
F1 Eu1 Eu1 33.15(3) . 101_666 ?
F1 Eu1 Eu1 33.15(3) 100_655 105_666 ?
F1 Eu1 F1 65.69(8) . 100_655 ?
F1 Eu1 F1 65.69(8) 100_655 2_665 ?
F1 Eu1 F1 100.17(14) 100_655 99_565 ?
F1 Eu1 F1 65.69(8) 99_565 2_665 ?
F1 Eu1 F1 65.69(8) . 99_565 ?
F1 Eu1 F1 100.17(14) . 2_665 ?
F1 Eu1 O1 139.15(4) 2_665 2_665 ?
F1 Eu1 O1 139.15(4) . 110 ?
F1 Eu1 O1 76.43(8) 100_655 . ?
F1 Eu1 O1 76.43(8) 2_665 . ?
F1 Eu1 O1 139.15(4) . . ?
F1 Eu1 O1 76.43(8) 2_665 110 ?
F1 Eu1 O1 139.15(4) 100_655 2_665 ?
F1 Eu1 O1 76.43(8) 100_655 109_665 ?
F1 Eu1 O1 76.43(8) 99_565 110 ?
F1 Eu1 O1 139.15(4) 100_655 110 ?
F1 Eu1 O1 76.43(8) 99_565 2_665 ?
F1 Eu1 O1 76.43(8) . 2_665 ?
F1 Eu1 O1 139.15(4) 2_665 109_665 ?
F1 Eu1 O1 139.15(4) 99_565 . ?
F1 Eu1 O1 76.43(8) . 109_665 ?
F1 Eu1 O1 139.15(4) 99_565 109_665 ?
F1 Eu1 O2 129.91(7) . . ?
F1 Eu1 O2 129.91(7) 100_655 . ?
F1 Eu1 O2 129.91(7) 99_565 . ?
F1 Eu1 O2 129.91(7) 2_665 . ?
O1 Eu1 Eu1 106.71(5) 109_665 101_666 ?
O1 Eu1 Eu1 106.71(5) 2_665 105_666 ?
O1 Eu1 Eu1 158.99(7) 109_665 9 ?
O1 Eu1 Eu1 68.99(7) 110 9 ?
O1 Eu1 Eu1 158.99(7) 110 105_666 ?
O1 Eu1 Eu1 68.99(7) 2_665 101_666 ?
O1 Eu1 Eu1 68.99(7) 109_665 105_666 ?
O1 Eu1 Eu1 106.71(5) 2_665 9 ?
O1 Eu1 Eu1 158.99(7) . 101_666 ?
O1 Eu1 Eu1 106.71(5) . 9 ?
O1 Eu1 Eu1 106.71(5) . 105_666 ?
O1 Eu1 Eu1 106.71(5) 110 101_666 ?
O1 Eu1 O1 80.49(6) . 110 ?
O1 Eu1 O1 80.49(6) 110 2_665 ?
O1 Eu1 O1 132.02(15) 110 109_665 ?
O1 Eu1 O1 132.02(15) . 2_665 ?
O1 Eu1 O1 80.49(6) . 109_665 ?
O1 Eu1 O1 80.49(6) 109_665 2_665 ?
O1 Eu1 O2 66.01(7) . . ?
O1 Eu1 O2 66.01(7) 2_665 . ?
O1 Eu1 O2 66.01(7) 109_665 . ?
O1 Eu1 O2 66.01(7) 110 . ?
O2 Eu1 Eu1 135.000(2) . 101_666 ?
O2 Eu1 Eu1 135.000(1) . 105_666 ?
O2 Eu1 Eu1 135.000(1) . 9 ?
Eu1 F1 Eu1 113.69(6) . 105_666 ?
Eu1 F1 Eu1 113.69(6) . 101_666 ?
Eu1 F1 Eu1 113.69(6) 101_666 105_666 ?
C1 O1 Eu1 137.1(3) . . ?
Eu1 O2 H2A 127.678(3) . 110 ?
Eu1 O2 H2A 127.7 . . ?
Eu1 O2 H2A 127.678(4) . 109_665 ?
Eu1 O2 H2B 127.7 . . ?
H2A O2 H2A 104.6 109_665 110 ?
H2A O2 H2A 68.1 . 110 ?
H2A O2 H2A 68.1 . 109_665 ?
H2A O2 H2B 104.7 . . ?
H2B O2 H2A 68.1 . 109_665 ?
H2B O2 H2A 68.1 . 110 ?
C5 N1 C3 118.6(6) . . ?
O1 C1 O1 127.9(5) 22_565 . ?
O1 C1 C2 116.1(2) . . ?
O1 C1 C2 116.1(2) 22_565 . ?
C3 C2 C1 121.3(3) . . ?
C3 C2 C1 121.3(3) 22_565 . ?
C3 C2 C3 117.4(6) 22_565 . ?
N1 C3 H3B 119.2 . . ?
C2 C3 N1 121.7(6) . . ?
C2 C3 H3A 119.2 . . ?
C2 C3 H3B 119.2 . . ?
C2 C3 C4 121.7(6) . . ?
C4 C3 H3A 119.2 . . ?
C3 C4 H4 120.7 . . ?
C5 C4 C3 118.6(6) . . ?
C5 C4 H4 120.7 . . ?
N1 C5 N1 122.0(7) 22_565 . ?
N1 C5 C5 119.0(4) 22_565 145_666 ?
N1 C5 C5 119.0(4) . 145_666 ?
C4 C5 C5 119.0(4) . 145_666 ?
H3C O3 H3C 35.0 . 12_665 ?
H3C O3 H3C 35.0 6_566 12_665 ?
H3C O3 H3C 35.0 . 6_566 ?
H3C O3 H3E 129.0 . . ?
H3C O3 H3D 117.4 . . ?
H3E O3 H3C 97.8 . 6_566 ?
H3E O3 H3C 97.8 . 12_665 ?
H3E O3 H3D 99.4 . . ?
H3D O3 H3C 117.4 . 6_566 ?
H3D O3 H3C 149.6 . 12_665 ?
O4 O4 H4A 167.9 110 . ?
O4 O4 H4A 91.551(9) 110 99_565 ?
O4 O4 H4A 167.89(17) 109_665 99_565 ?
O4 O4 H4A 91.6 109_665 . ?
O4 O4 H4B 49.9 109_665 . ?
O4 O4 H4B 49.9 110 . ?
O4 O4 H4C 153.9 109_665 . ?
O4 O4 H4C 64.2 110 . ?
H4A O4 H4A 84.5 . 99_565 ?
H4A O4 H4B 124.1 . . ?
H4A O4 H4C 114.4 . . ?
H4B O4 H4A 124.1 . 99_565 ?
H4B O4 H4C 108.7 . . ?
H4C O4 H4A 31.3 . 99_565 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O1 C1 O1 0.000(1) . . . 22_565 ?
Eu1 O1 C1 C2 180.000(1) . . . . ?
O1 C1 C2 C3 180.000(1) . . . 22_565 ?
O1 C1 C2 C3 0.000(1) 22_565 . . 22_565 ?
O1 C1 C2 C3 0.000(1) . . . . ?
O1 C1 C2 C3 180.000(1) 22_565 . . . ?
C1 C2 C3 N1 180.000(1) . . . . ?
C1 C2 C3 C4 180.000(1) . . . . ?
C2 C3 C4 C5 0.000(2) . . . . ?
C3 N1 C5 N1 0.000(2) . . . 22_565 ?
C3 N1 C5 C5 180.000(2) . . . 145_666 ?
C3 C2 C3 N1 0.000(1) 22_565 . . . ?
C3 C2 C3 C4 0.000(1) 22_565 . . . ?
C3 C4 C5 C5 180.000(2) . . . 145_666 ?
C5 N1 C3 C2 0.000(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.375 -0.931 -0.209 11616.9 380.5 '192 ?'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_platon_squeeze_special_details  
;
A solvent mask was calculated and 2239 electrons were 
found in a volume of 14462Å³ in 1 void per unit cell. 
This is consistent with the presence of 
48[H2O] per Asymmetric Unit 
which account for 1920 electrons 
per unit cell.
;
_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
