# Electronic Supplementary Material (ESI) for RSC Advances.
# 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. 
# 
#######################################################################

data_210623d_sq
_database_code_depnum_ccdc_archive 'CCDC 2168453'
loop_
_audit_author_name
_audit_author_address
'Zhao Yue'
;Liaocheng University
China
;
_audit_update_record             
;
2022-04-30 deposited with the CCDC.	2022-09-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C144 H110 Eu6 N6 O43'
_chemical_formula_weight         3524.13

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'
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'

_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'

_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'
'-y, x, z'
'x, -y, -z'
'z, x, y'
'-x, -y, z'
'-y, -x, -z'
'y, x, -z'
'z, -y, x'
'-x, z, y'
'-z, x, -y'
'z, -x, -y'
'y, z, x'
'y, -x, z'
'-x, y, -z'
'-z, -x, y'
'-z, -y, -x'
'-x, -z, -y'
'z, y, -x'
'x, z, -y'
'-z, y, x'
'-y, -z, x'
'y, -z, -x'
'-y, z, -x'
'x, -z, y'
'x, y+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'-x, -y+1/2, z+1/2'
'-y, -x+1/2, -z+1/2'
'y, x+1/2, -z+1/2'
'z, -y+1/2, x+1/2'
'-x, z+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, -x+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'-z, -x+1/2, y+1/2'
'-z, -y+1/2, -x+1/2'
'-x, -z+1/2, -y+1/2'
'z, y+1/2, -x+1/2'
'x, z+1/2, -y+1/2'
'-z, y+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'
'x, -z+1/2, y+1/2'
'x+1/2, y, z+1/2'
'-y+1/2, x, z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'-x+1/2, -y, z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, x, -z+1/2'
'z+1/2, -y, x+1/2'
'-x+1/2, z, 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, -x, z+1/2'
'-x+1/2, y, -z+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, -y, -x+1/2'
'-x+1/2, -z, -y+1/2'
'z+1/2, y, -x+1/2'
'x+1/2, z, -y+1/2'
'-z+1/2, y, x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, z, -x+1/2'
'x+1/2, -z, y+1/2'
'x+1/2, y+1/2, z'
'-y+1/2, x+1/2, z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'-x+1/2, -y+1/2, z'
'-y+1/2, -x+1/2, -z'
'y+1/2, x+1/2, -z'
'z+1/2, -y+1/2, x'
'-x+1/2, z+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, -x+1/2, z'
'-x+1/2, y+1/2, -z'
'-z+1/2, -x+1/2, y'
'-z+1/2, -y+1/2, -x'
'-x+1/2, -z+1/2, -y'
'z+1/2, y+1/2, -x'
'x+1/2, z+1/2, -y'
'-z+1/2, y+1/2, x'
'-y+1/2, -z+1/2, x'
'y+1/2, -z+1/2, -x'
'-y+1/2, z+1/2, -x'
'x+1/2, -z+1/2, y'
'-x, -y, -z'
'y, -x, -z'
'-x, y, z'
'-z, -x, -y'
'x, y, -z'
'y, x, z'
'-y, -x, z'
'-z, y, -x'
'x, -z, -y'
'z, -x, y'
'-z, x, y'
'-y, -z, -x'
'-y, x, -z'
'x, -y, z'
'z, x, -y'
'z, y, x'
'x, z, y'
'-z, -y, x'
'-x, -z, y'
'z, -y, -x'
'y, z, -x'
'-y, z, x'
'y, -z, x'
'-x, z, -y'
'-x, -y+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'x, y+1/2, -z+1/2'
'y, x+1/2, z+1/2'
'-y, -x+1/2, z+1/2'
'-z, y+1/2, -x+1/2'
'x, -z+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, x+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'z, x+1/2, -y+1/2'
'z, y+1/2, x+1/2'
'x, z+1/2, y+1/2'
'-z, -y+1/2, x+1/2'
'-x, -z+1/2, y+1/2'
'z, -y+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'
'-x, z+1/2, -y+1/2'
'-x+1/2, -y, -z+1/2'
'y+1/2, -x, -z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'x+1/2, y, -z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, -x, z+1/2'
'-z+1/2, y, -x+1/2'
'x+1/2, -z, -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, x, -z+1/2'
'x+1/2, -y, z+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, y, x+1/2'
'x+1/2, z, y+1/2'
'-z+1/2, -y, x+1/2'
'-x+1/2, -z, y+1/2'
'z+1/2, -y, -x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, -z, x+1/2'
'-x+1/2, z, -y+1/2'
'-x+1/2, -y+1/2, -z'
'y+1/2, -x+1/2, -z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'x+1/2, y+1/2, -z'
'y+1/2, x+1/2, z'
'-y+1/2, -x+1/2, z'
'-z+1/2, y+1/2, -x'
'x+1/2, -z+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, x+1/2, -z'
'x+1/2, -y+1/2, z'
'z+1/2, x+1/2, -y'
'z+1/2, y+1/2, x'
'x+1/2, z+1/2, y'
'-z+1/2, -y+1/2, x'
'-x+1/2, -z+1/2, y'
'z+1/2, -y+1/2, -x'
'y+1/2, z+1/2, -x'
'-y+1/2, z+1/2, x'
'y+1/2, -z+1/2, x'
'-x+1/2, z+1/2, -y'

_cell_length_a                   30.973(4)
_cell_length_b                   30.973(4)
_cell_length_c                   30.973(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     29713(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9941
_cell_measurement_theta_min      2.1785
_cell_measurement_theta_max      24.2795

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.788
_exptl_crystal_F_000             6952
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.288
_shelx_estimated_absorpt_T_min   0.783
_shelx_estimated_absorpt_T_max   0.882
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.781
_exptl_absorpt_correction_T_max  0.879
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            37292
_diffrn_reflns_av_unetI/netI     0.0277
_diffrn_reflns_av_R_equivalents  0.0866
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.181
_diffrn_reflns_theta_max         24.992
_diffrn_reflns_theta_full        24.992
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             1354
_reflns_number_gt                1061
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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    ?
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1362P)²+614.6625P] 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     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_extinction_coef       0.00060(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1354
_refine_ls_number_parameters     108
_refine_ls_number_restraints     534
_refine_ls_R_factor_all          0.0818
_refine_ls_R_factor_gt           0.0692
_refine_ls_wR_factor_ref         0.2235
_refine_ls_wR_factor_gt          0.2113
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_restrained_S_all      0.994
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.08912(3) 0.000000 0.000000 0.0363(5) Uani 1 8 d S TU P . .
N1 N 0.2563(17) 0.1581(18) 0.000000 0.110(6) Uani 0.25 2 d S TU P A 1
H1A H 0.264027 0.130462 0.000000 0.166 Uiso 0.25 2 calc R U P A 1
H1B H 0.266722 0.171010 -0.023462 0.166 Uiso 0.125 1 calc R U P A 1
H1C H 0.266722 0.171010 0.023462 0.166 Uiso 0.0417 1 calc R U P A 1
O1 O 0.1198(3) 0.0698(3) 0.000000 0.072(2) Uani 1 2 d S TU P . .
O2 O 0.04079(17) 0.04079(17) 0.04079(17) 0.028(2) Uani 1 6 d S TU P . .
H2 H 0.056626 0.056619 0.056619 0.034 Uiso 1 6 d R U P . .
O3 O 0.1813(14) 0.000000 0.000000 0.101(9) Uani 0.5 8 d S TU P . .
H3 H 0.190426 -0.022410 0.012940 0.151 Uiso 0.125 1 d R U P . .
C1 C 0.1066(4) 0.1066(4) 0.000000 0.079(3) Uani 1 4 d S TU P . .
C2 C 0.1413(4) 0.1413(4) 0.000000 0.093(3) Uani 1 4 d DS TU P . .
C3 C 0.1841(4) 0.1287(5) 0.000000 0.103(4) Uani 0.5 2 d DS TU P A 1
H3A H 0.191688 0.099702 0.000000 0.124 Uiso 0.5 2 calc R U P A 1
C4 C 0.2154(5) 0.1608(4) 0.000000 0.106(4) Uani 0.5 2 d DS TU P A 1
H4 H 0.244468 0.153243 0.000000 0.127 Uiso 0.25 2 d R U P A 1
C5 C 0.2039(4) 0.2039(4) 0.000000 0.108(4) Uani 1 4 d DS TU P . .
C6 C 0.2373(5) 0.2373(5) 0.000000 0.115(5) Uani 1 4 d S TU P A .
C7 C 0.1713(4) 0.1429(6) 0.0337(5) 0.099(4) Uani 0.25 1 d D U P A -2
C8 C 0.2029(6) 0.1745(5) 0.0337(5) 0.102(4) Uani 0.25 1 d D U P A -2
C9 C 0.2332(6) 0.1773(6) 0.0662(7) 0.108(4) Uani 0.25 1 d D U P A -2
H9 H 0.254149 0.198820 0.065487 0.130 Uiso 0.25 1 calc R U P A -2
C10 C 0.2325(7) 0.1481(8) 0.1000(7) 0.105(5) Uani 0.25 1 d D U P A -2
H10 H 0.252737 0.149673 0.122051 0.127 Uiso 0.25 1 calc R U P A -2
C11 C 0.2010(8) 0.1164(8) 0.1003(7) 0.105(4) Uani 0.25 1 d D U P A -2
H11 H 0.200262 0.096631 0.122839 0.126 Uiso 0.25 1 calc R U P A -2
C12 C 0.1708(6) 0.1136(6) 0.0677(7) 0.099(4) Uani 0.25 1 d D U P A -2
H12 H 0.149919 0.092028 0.068476 0.119 Uiso 0.25 1 calc R U P A -2
O4 O 0.0897(3) 0.0897(3) 0.0897(3) 0.100(4) Uani 1 6 d S TU P . .
H4A H 0.067050 0.084440 0.105540 0.151 Uiso 0.1667 1 d R U P . .
H4B H 0.107150 0.081460 0.107185 0.151 Uiso 0.3333 2 d R U P . .


_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 O2 2.331(2) 98 ?
Eu1 O2 2.331(2) 8 ?
Eu1 O2 2.331(2) 101 ?
Eu1 O2 2.331(2) . ?
Eu1 O1 2.361(8) 113 ?
Eu1 O1 2.361(8) 105 ?
Eu1 O1 2.361(8) 3 ?
Eu1 O1 2.362(8) . ?
Eu1 O3 2.86(4) . ?
Eu1 Eu1 3.9036(13) 104 ?
Eu1 Eu1 3.9036(13) 98 ?
Eu1 Eu1 3.9036(13) 2 ?
Eu1 H2 2.6765 . ?
N1 C4 1.27(6) . ?
N1 H1A 0.8900 . ?
N1 H1B 0.8900 . ?
N1 H1C 0.8900 . ?
N1 H4 0.3955 . ?
O1 C1 1.210(11) . ?
O2 H2 0.8495 . ?
O3 H3 0.8499 . ?
O3 H3 0.8499 3 ?
O3 H3 0.8499 101 ?
O3 H3 0.8499 105 ?
O3 H3 0.8499 110 ?
O3 H3 0.8499 113 ?
O3 H3 0.8499 19 ?
O3 H3 0.8499 24 ?
C1 C2 1.52(2) . ?
C2 C3 1.381(10) 102 ?
C2 C3 1.381(10) . ?
C2 C7 1.400(9) . ?
C3 C4 1.390(10) . ?
C3 H3A 0.9300 . ?
C4 C5 1.381(10) . ?
C4 H4 0.9300 . ?
C5 C8 1.386(10) . ?
C5 C6 1.46(3) . ?
C6 C6 1.12(4) 169 ?
C7 C8 1.384(9) . ?
C7 C12 1.389(9) . ?
C8 C9 1.381(9) . ?
C9 C10 1.382(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.381(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.380(10) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
O4 H4A 0.8713 . ?
O4 H4B 0.8069 . ?
O4 H4A 0.8712 4 ?
O4 H4A 0.8712 102 ?
O4 H4A 0.8712 12 ?
O4 H4A 0.8712 112 ?
O4 H4A 0.8712 113 ?
O4 H4B 0.8069 4 ?
O4 H4B 0.8069 102 ?

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
O2 Eu1 O2 65.6(2) 98 8 ?
O2 Eu1 O2 65.6(2) 98 101 ?
O2 Eu1 O2 100.1(4) 8 101 ?
O2 Eu1 O2 100.1(4) 98 . ?
O2 Eu1 O2 65.6(2) 8 . ?
O2 Eu1 O2 65.6(2) 101 . ?
O2 Eu1 O1 138.99(13) 98 113 ?
O2 Eu1 O1 76.2(2) 8 113 ?
O2 Eu1 O1 138.99(13) 101 113 ?
O2 Eu1 O1 76.2(2) . 113 ?
O2 Eu1 O1 76.2(2) 98 105 ?
O2 Eu1 O1 138.99(13) 8 105 ?
O2 Eu1 O1 76.2(2) 101 105 ?
O2 Eu1 O1 138.99(13) . 105 ?
O1 Eu1 O1 132.5(5) 113 105 ?
O2 Eu1 O1 76.2(2) 98 3 ?
O2 Eu1 O1 76.2(2) 8 3 ?
O2 Eu1 O1 138.99(13) 101 3 ?
O2 Eu1 O1 138.99(13) . 3 ?
O1 Eu1 O1 80.68(17) 113 3 ?
O1 Eu1 O1 80.68(17) 105 3 ?
O2 Eu1 O1 138.99(13) 98 . ?
O2 Eu1 O1 138.99(13) 8 . ?
O2 Eu1 O1 76.2(2) 101 . ?
O2 Eu1 O1 76.2(2) . . ?
O1 Eu1 O1 80.68(17) 113 . ?
O1 Eu1 O1 80.68(17) 105 . ?
O1 Eu1 O1 132.5(5) 3 . ?
O2 Eu1 O3 130.0(2) 98 . ?
O2 Eu1 O3 130.0(2) 8 . ?
O2 Eu1 O3 130.0(2) 101 . ?
O2 Eu1 O3 130.0(2) . . ?
O1 Eu1 O3 66.3(2) 113 . ?
O1 Eu1 O3 66.3(2) 105 . ?
O1 Eu1 O3 66.3(2) 3 . ?
O1 Eu1 O3 66.3(2) . . ?
O2 Eu1 Eu1 33.13(9) 98 104 ?
O2 Eu1 Eu1 85.93(19) 8 104 ?
O2 Eu1 Eu1 33.13(9) 101 104 ?
O2 Eu1 Eu1 85.93(19) . 104 ?
O1 Eu1 Eu1 158.7(2) 113 104 ?
O1 Eu1 Eu1 68.7(2) 105 104 ?
O1 Eu1 Eu1 106.53(15) 3 104 ?
O1 Eu1 Eu1 106.53(15) . 104 ?
O3 Eu1 Eu1 135.0 . 104 ?
O2 Eu1 Eu1 33.13(9) 98 98 ?
O2 Eu1 Eu1 33.13(9) 8 98 ?
O2 Eu1 Eu1 85.93(19) 101 98 ?
O2 Eu1 Eu1 85.93(19) . 98 ?
O1 Eu1 Eu1 106.53(15) 113 98 ?
O1 Eu1 Eu1 106.53(15) 105 98 ?
O1 Eu1 Eu1 68.7(2) 3 98 ?
O1 Eu1 Eu1 158.7(2) . 98 ?
O3 Eu1 Eu1 135.0 . 98 ?
Eu1 Eu1 Eu1 60.0 104 98 ?
O2 Eu1 Eu1 85.93(19) 98 2 ?
O2 Eu1 Eu1 85.93(19) 8 2 ?
O2 Eu1 Eu1 33.13(9) 101 2 ?
O2 Eu1 Eu1 33.13(9) . 2 ?
O1 Eu1 Eu1 106.53(15) 113 2 ?
O1 Eu1 Eu1 106.53(15) 105 2 ?
O1 Eu1 Eu1 158.7(2) 3 2 ?
O1 Eu1 Eu1 68.7(2) . 2 ?
O3 Eu1 Eu1 135.0 . 2 ?
Eu1 Eu1 Eu1 60.0 104 2 ?
Eu1 Eu1 Eu1 90.0 98 2 ?
O2 Eu1 H2 118.0 98 . ?
O2 Eu1 H2 76.0 8 . ?
O2 Eu1 H2 76.0 101 . ?
O2 Eu1 H2 17.9 . . ?
O1 Eu1 H2 63.4 113 . ?
O1 Eu1 H2 138.7 105 . ?
O1 Eu1 H2 138.7 3 . ?
O1 Eu1 H2 63.4 . . ?
O3 Eu1 H2 112.1 . . ?
Eu1 Eu1 H2 101.4 104 . ?
Eu1 Eu1 H2 101.4 98 . ?
Eu1 Eu1 H2 43.2 2 . ?
C4 N1 H1A 109.5 . . ?
C4 N1 H1B 109.5 . . ?
H1A N1 H1B 109.5 . . ?
C4 N1 H1C 109.5 . . ?
H1A N1 H1C 109.5 . . ?
H1B N1 H1C 109.5 . . ?
C4 N1 H4 26.3 . . ?
H1A N1 H4 83.2 . . ?
H1B N1 H4 120.5 . . ?
H1C N1 H4 120.5 . . ?
C1 O1 Eu1 136.5(10) . . ?
Eu1 O2 Eu1 113.73(18) . 8 ?
Eu1 O2 Eu1 113.73(18) . 2 ?
Eu1 O2 Eu1 113.73(18) 8 2 ?
Eu1 O2 H2 104.8 . . ?
Eu1 O2 H2 104.8 8 . ?
Eu1 O2 H2 104.8 2 . ?
Eu1 O3 H3 109.4 . . ?
Eu1 O3 H3 109.439(1) . 3 ?
H3 O3 H3 141.1 . 3 ?
Eu1 O3 H3 109.439(1) . 101 ?
H3 O3 H3 56.3 . 101 ?
H3 O3 H3 109.5 3 101 ?
Eu1 O3 H3 109.439(1) . 105 ?
H3 O3 H3 28.2 . 105 ?
H3 O3 H3 131.3 3 105 ?
H3 O3 H3 83.6 101 105 ?
Eu1 O3 H3 109.439(1) . 110 ?
H3 O3 H3 109.5 . 110 ?
H3 O3 H3 56.3 3 110 ?
H3 O3 H3 141.1 101 110 ?
H3 O3 H3 83.6 105 110 ?
Eu1 O3 H3 109.439(1) . 113 ?
H3 O3 H3 131.3 . 113 ?
H3 O3 H3 28.2 3 113 ?
H3 O3 H3 83.6 101 113 ?
H3 O3 H3 141.1 105 113 ?
H3 O3 H3 83.6 110 113 ?
Eu1 O3 H3 109.439(1) . 19 ?
H3 O3 H3 83.6 . 19 ?
H3 O3 H3 83.6 3 19 ?
H3 O3 H3 131.3 101 19 ?
H3 O3 H3 56.3 105 19 ?
H3 O3 H3 28.2 110 19 ?
H3 O3 H3 109.5 113 19 ?
Eu1 O3 H3 109.439(1) . 24 ?
H3 O3 H3 83.6 . 24 ?
H3 O3 H3 83.6 3 24 ?
H3 O3 H3 28.2 101 24 ?
H3 O3 H3 109.5 105 24 ?
H3 O3 H3 131.3 110 24 ?
H3 O3 H3 56.3 113 24 ?
H3 O3 H3 141.1 19 24 ?
O1 C1 O1 129.6(17) . 102 ?
O1 C1 C2 115.2(9) . . ?
O1 C1 C2 115.2(9) 102 . ?
C3 C2 C3 122.6(17) 102 . ?
C3 C2 C1 118.7(8) 102 . ?
C3 C2 C1 118.7(8) . . ?
C7 C2 C1 119.7(12) . . ?
C2 C3 C4 118.0(13) . . ?
C2 C3 H3A 121.0 . . ?
C4 C3 H3A 121.0 . . ?
N1 C4 C5 109(3) . . ?
N1 C4 C3 131(3) . . ?
C5 C4 C3 120.7(14) . . ?
N1 C4 H4 10.9 . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C4 119.9(17) 102 . ?
C4 C5 C6 120.0(9) 102 . ?
C4 C5 C6 120.0(9) . . ?
C8 C5 C6 118.8(12) . . ?
C6 C6 C5 180(3) 169 . ?
C8 C7 C12 118.1(10) . . ?
C8 C7 C2 120(2) . . ?
C12 C7 C2 122.3(19) . . ?
C9 C8 C7 121.7(11) . . ?
C9 C8 C5 120(2) . . ?
C7 C8 C5 119(2) . . ?
C8 C9 C10 119.9(12) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C11 C10 C9 118.8(12) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C12 C11 C10 121.2(12) . . ?
C12 C11 H11 119.4 . . ?
C10 C11 H11 119.4 . . ?
C11 C12 C7 120.3(12) . . ?
C11 C12 H12 119.8 . . ?
C7 C12 H12 119.8 . . ?
H4A O4 H4B 95.9 . . ?
H4A O4 H4A 114.1 . 4 ?
H4B O4 H4A 59.6 . 4 ?
H4A O4 H4A 51.8 . 102 ?
H4B O4 H4A 59.5 . 102 ?
H4A O4 H4A 64.1 4 102 ?
H4A O4 H4A 114.1 . 12 ?
H4B O4 H4A 147.5 . 12 ?
H4A O4 H4A 114.1 4 12 ?
H4A O4 H4A 150.7 102 12 ?
H4A O4 H4A 150.7 . 112 ?
H4B O4 H4A 96.0 . 112 ?
H4A O4 H4A 51.8 4 112 ?
H4A O4 H4A 114.1 102 112 ?
H4A O4 H4A 64.1 12 112 ?
H4A O4 H4A 64.1 . 113 ?
H4B O4 H4A 147.4 . 113 ?
H4A O4 H4A 150.7 4 113 ?
H4A O4 H4A 114.1 102 113 ?
H4A O4 H4A 51.8 12 113 ?
H4A O4 H4A 114.1 112 113 ?
H4A O4 H4B 147.5 . 4 ?
H4B O4 H4B 88.5 . 4 ?
H4A O4 H4B 95.9 4 4 ?
H4A O4 H4B 147.4 102 4 ?
H4A O4 H4B 59.6 12 4 ?
H4A O4 H4B 59.5 112 4 ?
H4A O4 H4B 96.0 113 4 ?
H4A O4 H4B 59.5 . 102 ?
H4B O4 H4B 88.4 . 102 ?
H4A O4 H4B 147.4 4 102 ?
H4A O4 H4B 95.9 102 102 ?
H4A O4 H4B 96.0 12 102 ?
H4A O4 H4B 147.5 112 102 ?
H4A O4 H4B 59.6 113 102 ?
H4B O4 H4B 88.6 4 102 ?

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 0.0 . . . 102 ?
Eu1 O1 C1 C2 180.0 . . . . ?
O1 C1 C2 C3 180.0 . . . 102 ?
O1 C1 C2 C3 0.0 102 . . 102 ?
O1 C1 C2 C3 0.0 . . . . ?
O1 C1 C2 C3 180.0 102 . . . ?
O1 C1 C2 C7 -59.2(4) . . . . ?
O1 C1 C2 C7 120.8(4) 102 . . . ?
C3 C2 C3 C4 0.0 102 . . . ?
C1 C2 C3 C4 180.0 . . . . ?
C2 C3 C4 N1 180.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
N1 C4 C5 C4 180.0 . . . 102 ?
C3 C4 C5 C4 0.0 . . . 102 ?
N1 C4 C5 C6 0.0 . . . . ?
C3 C4 C5 C6 180.0 . . . . ?
C1 C2 C7 C8 -180.0(3) . . . . ?
C1 C2 C7 C12 0.0(3) . . . . ?
C12 C7 C8 C9 0.0(7) . . . . ?
C2 C7 C8 C9 -180.0(4) . . . . ?
C12 C7 C8 C5 180.0(4) . . . . ?
C2 C7 C8 C5 0.0(6) . . . . ?
C6 C5 C8 C9 -0.1(7) . . . . ?
C6 C5 C8 C7 -180.0(3) . . . . ?
C7 C8 C9 C10 -0.1(9) . . . . ?
C5 C8 C9 C10 -180.0(5) . . . . ?
C8 C9 C10 C11 0.0(9) . . . . ?
C9 C10 C11 C12 0.1(9) . . . . ?
C10 C11 C12 C7 -0.1(9) . . . . ?
C8 C7 C12 C11 0.0(7) . . . . ?
C2 C7 C12 C11 -180.0(4) . . . . ?

_refine_diff_density_max         1.407
_refine_diff_density_min         -2.230
_refine_diff_density_rms         0.144



