# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2204043'
loop_
_audit_author_name
_audit_author_address
'Nawal K. Al Rasbi' 'Sultan Qaboos University'
_audit_update_record             
;
2022-08-29 deposited with the CCDC.	2023-02-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H20 Eu F6 N O9 S2'
_chemical_formula_weight         796.49

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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   9.990(2)
_cell_length_b                   19.280(4)
_cell_length_c                   15.570(3)
_cell_angle_alpha                90
_cell_angle_beta                 90.30(3)
_cell_angle_gamma                90
_cell_volume                     2998.9(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6863
_cell_measurement_theta_min      2.3
_cell_measurement_theta_max      54.99

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_F_000             1560
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    2.317
_shelx_estimated_absorpt_T_min   0.680
_shelx_estimated_absorpt_T_max   0.893
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.97
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'w scan'
_diffrn_detector_area_resol_mean 6.67

_diffrn_reflns_number            27796
_diffrn_reflns_av_unetI/netI     0.0385
_diffrn_reflns_av_R_equivalents  0.0592
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.428
_diffrn_reflns_theta_max         27.497
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6863
_reflns_number_gt                5905
_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.
 
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component 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)+(0.0439P)²+45.8946P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0038(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         6863
_refine_ls_number_parameters     442
_refine_ls_number_restraints     209
_refine_ls_R_factor_all          0.0756
_refine_ls_R_factor_gt           0.0644
_refine_ls_wR_factor_ref         0.1566
_refine_ls_wR_factor_gt          0.1502
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_restrained_S_all      1.147
_refine_ls_shift/su_max          0.003
_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 0.54384(4) 0.42284(2) 0.63503(2) 0.01732(14) Uani 1 1 d . . . . .
S1 S 0.9518(3) 0.32285(18) 0.4801(2) 0.0549(7) Uani 1 1 d . . . . .
S2 S 0.4310(3) 0.12287(13) 0.74531(17) 0.0449(6) Uani 1 1 d . . . . .
F1 F 0.751(4) 0.4491(17) 0.9146(17) 0.078(2) Uani 0.321(10) 1 d . U P A 1
F11 F 0.8331(16) 0.4339(8) 0.9097(8) 0.077(2) Uani 0.679(10) 1 d . U P A 2
F2 F 0.6892(10) 0.3540(5) 0.9194(5) 0.080(2) Uani 1 1 d . U . . .
F3 F 0.922(3) 0.3803(18) 0.9035(15) 0.077(2) Uani 0.321(10) 1 d . U P A 1
F33 F 0.8831(14) 0.3252(8) 0.9025(7) 0.075(3) Uani 0.679(10) 1 d . U P A 2
F4 F 0.147(3) 0.3732(15) 0.8455(19) 0.070(3) Uani 0.321(10) 1 d . U P A 1
F44 F 0.1689(16) 0.4059(7) 0.8507(8) 0.070(2) Uani 0.679(10) 1 d . U P A 2
F5 F 0.306(3) 0.4323(15) 0.9037(19) 0.070(2) Uani 0.321(10) 1 d . U P A 1
F55 F 0.3501(16) 0.4103(7) 0.9182(8) 0.071(2) Uani 0.679(10) 1 d . U P A 2
F6 F 0.198(3) 0.3118(15) 0.8945(18) 0.069(2) Uani 0.321(10) 1 d . U P A 1
F66 F 0.2671(15) 0.3171(6) 0.9235(8) 0.069(2) Uani 0.679(10) 1 d . U P A 2
O1 O 0.6480(5) 0.5132(3) 0.5606(4) 0.0232(11) Uani 1 1 d . . . . .
O2 O 0.6605(5) 0.5349(3) 0.4210(4) 0.0245(12) Uani 1 1 d . . . . .
O3 O 0.8832(5) 0.5132(3) 0.3393(4) 0.0259(12) Uani 1 1 d . . . . .
H3 H 0.800517 0.519990 0.343952 0.039 Uiso 1 1 calc R U . . .
O5 O 0.7511(6) 0.3711(3) 0.5999(4) 0.0275(12) Uani 1 1 d . . . . .
O6 O 0.6625(7) 0.4088(4) 0.7611(4) 0.0363(15) Uani 1 1 d . . . . .
O7 O 0.4993(6) 0.3045(3) 0.6393(4) 0.0303(13) Uani 1 1 d . . . . .
O8 O 0.3788(6) 0.4035(3) 0.7411(4) 0.0289(13) Uani 1 1 d . . . . .
O9 O 0.5192(7) 0.5318(3) 0.7067(4) 0.0355(15) Uani 1 1 d . . . . .
N1 N 0.4985(16) 0.6007(6) 0.8235(8) 0.078(4) Uani 1 1 d D . . . .
C1 C 0.7150(7) 0.5196(4) 0.4919(5) 0.0207(13) Uani 1 1 d . U . . .
C2 C 0.8628(7) 0.5106(4) 0.4956(5) 0.0193(12) Uani 1 1 d . U . . .
C3 C 0.9256(8) 0.5044(4) 0.5739(5) 0.0215(13) Uani 1 1 d . U . . .
H99 H 0.873749 0.507845 0.624716 0.026 Uiso 1 1 calc R U . . .
C4 C 0.9389(8) 0.5067(4) 0.4190(5) 0.0204(13) Uani 1 1 d . U . . .
C5 C 0.7930(11) 0.3774(7) 0.8780(7) 0.046(2) Uani 1 1 d . U . . .
C6 C 0.7724(10) 0.3798(6) 0.7814(6) 0.0375(16) Uani 1 1 d . U . . .
C7 C 0.8674(10) 0.3531(5) 0.7298(6) 0.0362(15) Uani 1 1 d . U . . .
H7 H 0.945540 0.333752 0.755289 0.043 Uiso 1 1 calc R U . . .
C8 C 0.8554(8) 0.3526(4) 0.6392(6) 0.0283(14) Uani 1 1 d . U . . .
C9 C 0.9714(8) 0.3296(4) 0.5868(6) 0.0290(14) Uani 1 1 d . U . . .
C10 C 1.1150(8) 0.3138(4) 0.6207(6) 0.0255(13) Uani 1 1 d . U . . .
H10 H 1.148896 0.313258 0.677820 0.031 Uiso 1 1 calc R U . . .
C11 C 1.1844(10) 0.2998(5) 0.5376(7) 0.0412(17) Uani 1 1 d . U . . .
H11 H 1.277273 0.289329 0.535914 0.049 Uiso 1 1 calc R U . . .
C12 C 1.1088(11) 0.3026(6) 0.4638(7) 0.0436(19) Uani 1 1 d . U . . .
H12 H 1.144306 0.293567 0.408459 0.052 Uiso 1 1 calc R U . . .
C13 C 0.2785(10) 0.3672(5) 0.8681(6) 0.0380(18) Uani 1 1 d . U . . .
C14 C 0.3564(9) 0.3510(5) 0.7868(6) 0.0307(14) Uani 1 1 d . U . . .
C15 C 0.3926(10) 0.2830(5) 0.7720(6) 0.0322(14) Uani 1 1 d . U . . .
H15 H 0.374146 0.248963 0.814419 0.039 Uiso 1 1 calc R U . . .
C16 C 0.4568(9) 0.2625(4) 0.6945(5) 0.0299(14) Uani 1 1 d . U . . .
C17 C 0.4745(10) 0.1885(5) 0.6757(6) 0.0342(15) Uani 1 1 d . U . . .
C18 C 0.5277(12) 0.1622(5) 0.5989(7) 0.0423(17) Uani 1 1 d . U . . .
H18 H 0.557242 0.189827 0.552209 0.051 Uiso 1 1 calc R U . . .
C19 C 0.5311(13) 0.0872(5) 0.6010(7) 0.0475(18) Uani 1 1 d . U . . .
H19 H 0.562742 0.059265 0.555153 0.057 Uiso 1 1 calc R U . . .
C20 C 0.4835(13) 0.0612(5) 0.6766(7) 0.049(2) Uani 1 1 d . U . . .
H20 H 0.480277 0.013023 0.689138 0.059 Uiso 1 1 calc R U . . .
C21 C 0.4649(14) 0.5476(6) 0.7755(7) 0.053(3) Uani 1 1 d . . . . .
H21 H 0.393655 0.518986 0.794788 0.063 Uiso 1 1 calc R U . . .
C22 C 0.577(7) 0.656(3) 0.784(5) 0.110(10) Uani 0.321(10) 1 d D U P A 1
H22A H 0.594719 0.692251 0.826748 0.165 Uiso 0.321(10) 1 calc R U P A 1
H22B H 0.661406 0.637127 0.763141 0.165 Uiso 0.321(10) 1 calc R U P A 1
H22C H 0.526030 0.675879 0.735903 0.165 Uiso 0.321(10) 1 calc R U P A 1
C22B C 0.622(3) 0.6355(18) 0.808(2) 0.110(9) Uiso 0.679(10) 1 d D U P A 2
H22D H 0.632800 0.673760 0.848381 0.165 Uiso 0.679(10) 1 calc R U P A 2
H22E H 0.696290 0.602764 0.814299 0.165 Uiso 0.679(10) 1 calc R U P A 2
H22F H 0.621475 0.653873 0.748819 0.165 Uiso 0.679(10) 1 calc R U P A 2
C23 C 0.425(3) 0.6068(14) 0.9043(9) 0.132(10) Uani 1 1 d . . . . .
H23A H 0.353977 0.641246 0.897922 0.198 Uiso 1 1 calc R U . . .
H23B H 0.487038 0.621371 0.950042 0.198 Uiso 1 1 calc R U . . .
H23C H 0.386238 0.561755 0.919174 0.198 Uiso 1 1 calc R U . . .
O1M O 0.5271(6) 0.3869(3) 0.4848(4) 0.0293(13) Uani 1 1 d . . . . .
C2M C 0.5837(11) 0.3330(5) 0.4355(7) 0.042(2) Uani 1 1 d . . . . .
H2M1 H 0.630715 0.300566 0.473582 0.064 Uiso 1 1 calc R U . . .
H2M2 H 0.647137 0.352671 0.394324 0.064 Uiso 1 1 calc R U . . .
H2M3 H 0.512615 0.308412 0.404423 0.064 Uiso 1 1 calc R 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 O6 2.304(6) . ?
Eu1 O7 2.325(6) . ?
Eu1 O1 2.339(5) . ?
Eu1 O2 2.362(5) 3_666 ?
Eu1 O5 2.365(6) . ?
Eu1 O8 2.370(6) . ?
Eu1 O9 2.392(6) . ?
Eu1 O1M 2.445(6) . ?
S1 C12 1.638(11) . ?
S1 C9 1.676(10) . ?
S2 C20 1.685(11) . ?
S2 C17 1.722(9) . ?
F1 C5 1.55(4) . ?
F11 C5 1.261(18) . ?
F2 C5 1.305(14) . ?
F3 C5 1.35(3) . ?
F33 C5 1.401(17) . ?
F4 C13 1.37(4) . ?
F4 F6 1.50(4) . ?
F44 C13 1.351(18) . ?
F5 C13 1.40(3) . ?
F55 C13 1.343(18) . ?
F6 C13 1.40(3) . ?
F66 C13 1.301(15) . ?
O1 C1 1.271(9) . ?
O2 C1 1.263(10) . ?
O3 C4 1.363(9) . ?
O3 H3 0.8400 . ?
O5 C8 1.257(10) . ?
O6 C6 1.270(12) . ?
O7 C16 1.258(10) . ?
O8 C14 1.258(10) . ?
O9 C21 1.241(12) . ?
N1 C21 1.310(15) . ?
N1 C22B 1.428(18) . ?
N1 C22 1.46(2) . ?
N1 C23 1.462(19) . ?
C1 C2 1.488(10) . ?
C2 C3 1.373(11) . ?
C2 C4 1.420(10) . ?
C3 C4 1.374(11) 3_766 ?
C3 H99 0.9500 . ?
C5 C6 1.518(14) . ?
C6 C7 1.349(14) . ?
C7 C8 1.415(13) . ?
C7 H7 0.9500 . ?
C8 C9 1.489(12) . ?
C9 C10 1.556(11) . ?
C10 C11 1.496(13) . ?
C10 H10 0.9500 . ?
C11 C12 1.372(15) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.521(13) . ?
C14 C15 1.381(13) . ?
C15 C16 1.424(12) . ?
C15 H15 0.9500 . ?
C16 C17 1.469(12) . ?
C17 C18 1.405(14) . ?
C18 C19 1.447(14) . ?
C18 H18 0.9500 . ?
C19 C20 1.366(15) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22B H22D 0.9800 . ?
C22B H22E 0.9800 . ?
C22B H22F 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
O1M C2M 1.411(11) . ?
C2M H2M1 0.9800 . ?
C2M H2M2 0.9800 . ?
C2M H2M3 0.9800 . ?

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
O6 Eu1 O7 87.6(2) . . ?
O6 Eu1 O1 106.3(2) . . ?
O7 Eu1 O1 146.1(2) . . ?
O6 Eu1 O2 142.7(2) . 3_666 ?
O7 Eu1 O2 100.6(2) . 3_666 ?
O1 Eu1 O2 86.9(2) . 3_666 ?
O6 Eu1 O5 72.6(2) . . ?
O7 Eu1 O5 76.2(2) . . ?
O1 Eu1 O5 78.9(2) . . ?
O2 Eu1 O5 144.7(2) 3_666 . ?
O6 Eu1 O8 75.2(2) . . ?
O7 Eu1 O8 72.1(2) . . ?
O1 Eu1 O8 140.8(2) . . ?
O2 Eu1 O8 73.1(2) 3_666 . ?
O5 Eu1 O8 135.1(2) . . ?
O6 Eu1 O9 76.1(2) . . ?
O7 Eu1 O9 145.9(2) . . ?
O1 Eu1 O9 67.9(2) . . ?
O2 Eu1 O9 77.2(2) 3_666 . ?
O5 Eu1 O9 124.8(2) . . ?
O8 Eu1 O9 74.9(2) . . ?
O6 Eu1 O1M 144.5(2) . . ?
O7 Eu1 O1M 74.7(2) . . ?
O1 Eu1 O1M 76.4(2) . . ?
O2 Eu1 O1M 71.9(2) 3_666 . ?
O5 Eu1 O1M 73.4(2) . . ?
O8 Eu1 O1M 125.3(2) . . ?
O9 Eu1 O1M 133.5(2) . . ?
C12 S1 C9 93.7(5) . . ?
C20 S2 C17 92.2(5) . . ?
C13 F4 F6 58.4(18) . . ?
C13 F6 F4 56.1(16) . . ?
C1 O1 Eu1 136.7(5) . . ?
C1 O2 Eu1 140.4(5) . 3_666 ?
C4 O3 H3 109.5 . . ?
C8 O5 Eu1 137.0(6) . . ?
C6 O6 Eu1 134.7(6) . . ?
C16 O7 Eu1 135.8(6) . . ?
C14 O8 Eu1 130.3(6) . . ?
C21 O9 Eu1 131.6(7) . . ?
C21 N1 C22B 119.1(19) . . ?
C21 N1 C22 118(3) . . ?
C21 N1 C23 115.2(14) . . ?
C22B N1 C23 123(2) . . ?
C22 N1 C23 125(3) . . ?
O2 C1 O1 122.2(7) . . ?
O2 C1 C2 118.9(7) . . ?
O1 C1 C2 118.9(7) . . ?
C3 C2 C4 119.8(7) . . ?
C3 C2 C1 119.5(7) . . ?
C4 C2 C1 120.6(7) . . ?
C2 C3 C4 122.0(7) . 3_766 ?
C2 C3 H99 119.0 . . ?
C4 C3 H99 119.0 3_766 . ?
O3 C4 C3 119.0(7) . 3_766 ?
O3 C4 C2 122.8(7) . . ?
C3 C4 C2 118.1(7) 3_766 . ?
F11 C5 F2 110.9(12) . . ?
F2 C5 F3 129.1(15) . . ?
F11 C5 F33 108.2(12) . . ?
F2 C5 F33 97.4(10) . . ?
F11 C5 C6 113.7(11) . . ?
F2 C5 C6 113.3(9) . . ?
F3 C5 C6 114.6(14) . . ?
F33 C5 C6 112.1(10) . . ?
F2 C5 F1 84.9(14) . . ?
F3 C5 F1 96(2) . . ?
C6 C5 F1 107.5(13) . . ?
O6 C6 C7 129.0(9) . . ?
O6 C6 C5 111.9(9) . . ?
C7 C6 C5 119.1(9) . . ?
C6 C7 C8 122.7(9) . . ?
C6 C7 H7 118.7 . . ?
C8 C7 H7 118.7 . . ?
O5 C8 C7 123.3(8) . . ?
O5 C8 C9 117.6(8) . . ?
C7 C8 C9 119.1(8) . . ?
C8 C9 C10 126.2(8) . . ?
C8 C9 S1 118.6(6) . . ?
C10 C9 S1 115.1(6) . . ?
C11 C10 C9 99.9(7) . . ?
C11 C10 H10 130.0 . . ?
C9 C10 H10 130.0 . . ?
C12 C11 C10 117.5(9) . . ?
C12 C11 H11 121.3 . . ?
C10 C11 H11 121.3 . . ?
C11 C12 S1 113.8(8) . . ?
C11 C12 H12 123.1 . . ?
S1 C12 H12 123.1 . . ?
F66 C13 F55 97.0(12) . . ?
F66 C13 F44 118.0(11) . . ?
F55 C13 F44 101.7(11) . . ?
F4 C13 F5 102.2(19) . . ?
F4 C13 F6 65.5(19) . . ?
F5 C13 F6 132.7(17) . . ?
F66 C13 C14 116.5(9) . . ?
F55 C13 C14 109.8(9) . . ?
F44 C13 C14 111.4(9) . . ?
F4 C13 C14 107.4(14) . . ?
F5 C13 C14 114.5(13) . . ?
F6 C13 C14 112.7(13) . . ?
O8 C14 C15 128.5(8) . . ?
O8 C14 C13 113.5(8) . . ?
C15 C14 C13 118.0(8) . . ?
C14 C15 C16 121.6(8) . . ?
C14 C15 H15 119.2 . . ?
C16 C15 H15 119.2 . . ?
O7 C16 C15 123.8(8) . . ?
O7 C16 C17 116.6(8) . . ?
C15 C16 C17 119.6(8) . . ?
C18 C17 C16 124.5(8) . . ?
C18 C17 S2 111.6(7) . . ?
C16 C17 S2 123.9(7) . . ?
C17 C18 C19 110.5(9) . . ?
C17 C18 H18 124.8 . . ?
C19 C18 H18 124.8 . . ?
C20 C19 C18 112.2(10) . . ?
C20 C19 H19 123.9 . . ?
C18 C19 H19 123.9 . . ?
C19 C20 S2 113.5(8) . . ?
C19 C20 H20 123.2 . . ?
S2 C20 H20 123.2 . . ?
O9 C21 N1 124.9(12) . . ?
O9 C21 H21 117.5 . . ?
N1 C21 H21 117.5 . . ?
N1 C22 H22A 109.5 . . ?
N1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N1 C22B H22D 109.5 . . ?
N1 C22B H22E 109.5 . . ?
H22D C22B H22E 109.5 . . ?
N1 C22B H22F 109.5 . . ?
H22D C22B H22F 109.5 . . ?
H22E C22B H22F 109.5 . . ?
N1 C23 H23A 109.5 . . ?
N1 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N1 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C2M O1M Eu1 134.7(6) . . ?
O1M C2M H2M1 109.5 . . ?
O1M C2M H2M2 109.5 . . ?
H2M1 C2M H2M2 109.5 . . ?
O1M C2M H2M3 109.5 . . ?
H2M1 C2M H2M3 109.5 . . ?
H2M2 C2M H2M3 109.5 . . ?

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 O2 C1 O1 13.8(13) 3_666 . . . ?
Eu1 O2 C1 C2 -164.8(5) 3_666 . . . ?
Eu1 O1 C1 O2 92.7(9) . . . . ?
Eu1 O1 C1 C2 -88.7(9) . . . . ?
O2 C1 C2 C3 170.3(7) . . . . ?
O1 C1 C2 C3 -8.3(11) . . . . ?
O2 C1 C2 C4 -11.1(11) . . . . ?
O1 C1 C2 C4 170.2(7) . . . . ?
C4 C2 C3 C4 -1.1(13) . . . 3_766 ?
C1 C2 C3 C4 177.5(7) . . . 3_766 ?
C3 C2 C4 O3 -179.3(7) . . . . ?
C1 C2 C4 O3 2.2(11) . . . . ?
C3 C2 C4 C3 1.0(12) . . . 3_766 ?
C1 C2 C4 C3 -177.5(7) . . . 3_766 ?
Eu1 O6 C6 C7 8.9(18) . . . . ?
Eu1 O6 C6 C5 -171.7(7) . . . . ?
F11 C5 C6 O6 -79.1(14) . . . . ?
F2 C5 C6 O6 48.8(14) . . . . ?
F3 C5 C6 O6 -149.0(18) . . . . ?
F33 C5 C6 O6 157.8(11) . . . . ?
F1 C5 C6 O6 -43.1(18) . . . . ?
F11 C5 C6 C7 100.4(15) . . . . ?
F2 C5 C6 C7 -131.7(12) . . . . ?
F3 C5 C6 C7 30(2) . . . . ?
F33 C5 C6 C7 -22.7(16) . . . . ?
F1 C5 C6 C7 136.4(16) . . . . ?
O6 C6 C7 C8 -1.2(18) . . . . ?
C5 C6 C7 C8 179.4(10) . . . . ?
Eu1 O5 C8 C7 7.5(14) . . . . ?
Eu1 O5 C8 C9 -172.2(6) . . . . ?
C6 C7 C8 O5 -6.7(16) . . . . ?
C6 C7 C8 C9 173.1(9) . . . . ?
O5 C8 C9 C10 171.5(8) . . . . ?
C7 C8 C9 C10 -8.3(13) . . . . ?
O5 C8 C9 S1 -5.3(11) . . . . ?
C7 C8 C9 S1 174.9(7) . . . . ?
C12 S1 C9 C8 176.2(8) . . . . ?
C12 S1 C9 C10 -1.0(7) . . . . ?
C8 C9 C10 C11 -175.3(9) . . . . ?
S1 C9 C10 C11 1.6(9) . . . . ?
C9 C10 C11 C12 -1.7(11) . . . . ?
C10 C11 C12 S1 1.1(13) . . . . ?
C9 S1 C12 C11 0.0(9) . . . . ?
F6 F4 C13 F5 -131.6(19) . . . . ?
F6 F4 C13 C14 107.5(15) . . . . ?
F4 F6 C13 F5 84(3) . . . . ?
F4 F6 C13 C14 -99.6(16) . . . . ?
Eu1 O8 C14 C15 -21.8(15) . . . . ?
Eu1 O8 C14 C13 158.5(6) . . . . ?
F66 C13 C14 O8 -171.3(12) . . . . ?
F55 C13 C14 O8 -62.5(12) . . . . ?
F44 C13 C14 O8 49.4(13) . . . . ?
F4 C13 C14 O8 79.5(16) . . . . ?
F5 C13 C14 O8 -33.3(19) . . . . ?
F6 C13 C14 O8 149.7(17) . . . . ?
F66 C13 C14 C15 8.9(16) . . . . ?
F55 C13 C14 C15 117.8(11) . . . . ?
F44 C13 C14 C15 -130.4(11) . . . . ?
F4 C13 C14 C15 -100.2(16) . . . . ?
F5 C13 C14 C15 147.0(17) . . . . ?
F6 C13 C14 C15 -30.1(19) . . . . ?
O8 C14 C15 C16 -4.4(16) . . . . ?
C13 C14 C15 C16 175.3(9) . . . . ?
Eu1 O7 C16 C15 15.2(15) . . . . ?
Eu1 O7 C16 C17 -165.6(6) . . . . ?
C14 C15 C16 O7 8.6(15) . . . . ?
C14 C15 C16 C17 -170.5(9) . . . . ?
O7 C16 C17 C18 -3.9(15) . . . . ?
C15 C16 C17 C18 175.3(10) . . . . ?
O7 C16 C17 S2 176.6(7) . . . . ?
C15 C16 C17 S2 -4.2(14) . . . . ?
C20 S2 C17 C18 0.9(9) . . . . ?
C20 S2 C17 C16 -179.6(9) . . . . ?
C16 C17 C18 C19 -179.9(10) . . . . ?
S2 C17 C18 C19 -0.3(13) . . . . ?
C17 C18 C19 C20 -0.6(16) . . . . ?
C18 C19 C20 S2 1.3(15) . . . . ?
C17 S2 C20 C19 -1.3(11) . . . . ?
Eu1 O9 C21 N1 152.8(11) . . . . ?
C22B N1 C21 O9 -14(3) . . . . ?
C22 N1 C21 O9 18(4) . . . . ?
C23 N1 C21 O9 -176.7(17) . . . . ?

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
C20 H20 O3 0.95 2.59 3.084(12) 113.0 4_566 yes
C21 H21 O8 0.95 2.38 2.955(13) 118.5 . yes
C2M H2M1 O5 0.98 2.67 3.138(12) 109.4 . yes

_refine_diff_density_max         1.631
_refine_diff_density_min         -1.818
_refine_diff_density_rms         0.198



####################################################################### 
# 
# 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_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2204044'
loop_
_audit_author_name
_audit_author_address
'Nawal K. Al Rasbi' 'Sultan Qaboos University'
_audit_update_record             
;
2022-08-29 deposited with the CCDC.	2023-02-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C10 H10 Eu2 N0 O3'
_chemical_formula_weight         482.10

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'
O O 0.0106 0.0060 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'

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

_cell_length_a                   15.470(3)
_cell_length_b                   6.4600(13)
_cell_length_c                   15.460(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1545.0(5)
_cell_formula_units_Z            5
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.591
_exptl_crystal_F_000             1100
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    10.038
_shelx_estimated_absorpt_T_min   0.433
_shelx_estimated_absorpt_T_max   0.584
_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      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16445
_diffrn_reflns_av_unetI/netI     0.0713
_diffrn_reflns_av_R_equivalents  0.1234
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.633
_diffrn_reflns_theta_max         30.270
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.896
_diffrn_reflns_point_group_measured_fraction_full 0.933
_reflns_number_total             4135
_reflns_number_gt                3109
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.760
_reflns_Friedel_fraction_max     0.801
_reflns_Friedel_fraction_full    0.859

_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component 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)+(0.0141P)²+68.2358P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0012(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.55(11)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         4135
_refine_ls_number_parameters     228
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0992
_refine_ls_R_factor_gt           0.0676
_refine_ls_wR_factor_ref         0.1626
_refine_ls_wR_factor_gt          0.1462
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_restrained_S_all      1.202
_refine_ls_shift/su_max          1.841
_refine_ls_shift/su_mean         0.120

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 0.72020(4) 0.10028(11) 0.4515(5) 0.0074(2) Uani 1 1 d . . . . .
O1 O 0.676(3) 0.388(5) 0.546(3) 0.018(8) Uani 1 1 d . . . . .
O2 O 0.590(2) 0.138(4) 0.540(2) 0.025(8) Uani 1 1 d . . . . .
O1W O 0.767(2) 0.012(5) 0.3091(18) 0.015(7) Uani 1 1 d . . . . .
O3 O 0.453(2) 0.111(5) 0.638(2) 0.021(8) Uani 1 1 d . . . . .
H3 H 0.490911 0.069236 0.603104 0.031 Uiso 1 1 calc R U . . .
O2W O 0.8463(7) 0.313(2) 0.454(3) 0.020(3) Uani 1 1 d . . . . .
O4 O 0.548(3) 0.868(5) 0.772(2) 0.015(6) Uani 1 1 d . . . . .
H4 H 0.510970 0.913726 0.807306 0.022 Uiso 1 1 calc R U . . .
O3W O 0.764(3) -0.006(5) 0.598(3) 0.030(9) Uani 1 1 d . . . . .
O5 O 0.4106(15) 0.867(6) 0.855(2) 0.024(8) Uani 1 1 d . . . . .
O4W O 0.6455(8) -0.222(2) 0.442(2) 0.011(5) Uani 1 1 d . . . . .
O6 O 0.319(2) 0.595(5) 0.853(3) 0.014(7) Uani 1 1 d . . . . .
O5W O 0.698(3) 0.093(6) 0.143(3) 0.040(11) Uani 1 1 d . . . . .
O7 O 0.8400(7) -0.169(2) 0.447(3) 0.016(4) Uani 1 1 d . . . . .
O6W O 0.6991(19) 1.105(3) 0.7542(18) 0.005(5) Uani 1 1 d . . . . .
O8 O 0.9636(7) -0.001(3) 0.452(4) 0.030(4) Uani 1 1 d . . . . .
O9 O 0.9609(10) -0.340(2) 0.444(5) 0.027(6) Uani 1 1 d . . . . .
N1 N 0.9216(9) -0.168(2) 0.447(3) 0.014(4) Uani 1 1 d . . . . .
C1 C 0.612(4) 0.323(6) 0.570(3) 0.011(8) Uani 1 1 d . . . . .
C2 C 0.553(3) 0.419(7) 0.640(3) 0.010(8) Uani 1 1 d . . . . .
C3 C 0.574(4) 0.602(8) 0.666(3) 0.022(12) Uani 1 1 d . . . . .
H3A H 0.618353 0.679089 0.638361 0.027 Uiso 1 1 calc R U . . .
C4 C 0.522(2) 0.691(7) 0.743(3) 0.018(10) Uani 1 1 d . . . . .
C5 C 0.448(4) 0.601(6) 0.767(3) 0.016(11) Uani 1 1 d . . . . .
C6 C 0.426(2) 0.395(5) 0.725(3) 0.001(6) Uani 1 1 d . . . . .
H6 H 0.373120 0.328461 0.739501 0.002 Uiso 1 1 calc R U . . .
C7 C 0.477(3) 0.307(5) 0.671(3) 0.011(8) Uani 1 1 d . . . . .
C8 C 0.391(4) 0.700(6) 0.828(3) 0.009(7) Uani 1 1 d . . . . .


_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 O1W 2.39(3) . ?
Eu1 O4W 2.386(13) . ?
Eu1 O2W 2.388(12) . ?
Eu1 O2 2.45(3) . ?
Eu1 O1 2.46(3) . ?
Eu1 O3W 2.46(4) . ?
Eu1 O5 2.52(3) 2_664 ?
Eu1 O7 2.543(12) . ?
Eu1 O6 2.56(3) 2_664 ?
Eu1 C8 2.88(5) 2_664 ?
Eu1 C1 2.87(5) . ?
O1 C1 1.14(7) . ?
O2 C1 1.33(5) . ?
O3 C7 1.42(5) . ?
O4 C4 1.29(5) . ?
O5 C8 1.19(5) . ?
O6 C8 1.37(6) . ?
O7 N1 1.263(18) . ?
O8 N1 1.26(2) . ?
O9 N1 1.27(2) . ?
C1 C2 1.55(6) . ?
C2 C3 1.29(6) . ?
C2 C7 1.45(6) . ?
C3 C4 1.54(6) . ?
C4 C5 1.35(7) . ?
C5 C8 1.43(7) . ?
C5 C6 1.52(5) . ?
C6 C7 1.28(6) . ?

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
O1W Eu1 O4W 83.1(11) . . ?
O1W Eu1 O2W 84.5(14) . . ?
O4W Eu1 O2W 154.1(4) . . ?
O1W Eu1 O2 142.1(12) . . ?
O4W Eu1 O2 74.0(8) . . ?
O2W Eu1 O2 127.3(10) . . ?
O1W Eu1 O1 144.3(12) . . ?
O4W Eu1 O1 124.3(11) . . ?
O2W Eu1 O1 77.3(12) . . ?
O2 Eu1 O1 50.6(12) . . ?
O1W Eu1 O3W 134.3(6) . . ?
O4W Eu1 O3W 87.1(11) . . ?
O2W Eu1 O3W 85.4(15) . . ?
O2 Eu1 O3W 75.0(13) . . ?
O1 Eu1 O3W 74.9(13) . . ?
O1W Eu1 O5 73.7(11) . 2_664 ?
O4W Eu1 O5 69.3(10) . 2_664 ?
O2W Eu1 O5 128.1(12) . 2_664 ?
O2 Eu1 O5 70.2(5) . 2_664 ?
O1 Eu1 O5 93.8(13) . 2_664 ?
O3W Eu1 O5 142.0(13) . 2_664 ?
O1W Eu1 O7 66.0(12) . . ?
O4W Eu1 O7 75.8(4) . . ?
O2W Eu1 O7 78.4(4) . . ?
O2 Eu1 O7 133.0(10) . . ?
O1 Eu1 O7 137.1(14) . . ?
O3W Eu1 O7 68.3(14) . . ?
O5 Eu1 O7 128.9(12) 2_664 . ?
O1W Eu1 O6 73.0(11) . 2_664 ?
O4W Eu1 O6 121.2(9) . 2_664 ?
O2W Eu1 O6 76.1(11) . 2_664 ?
O2 Eu1 O6 93.5(11) . 2_664 ?
O1 Eu1 O6 72.9(5) . 2_664 ?
O3W Eu1 O6 145.7(12) . 2_664 ?
O5 Eu1 O6 52.7(10) 2_664 2_664 ?
O7 Eu1 O6 133.2(12) . 2_664 ?
O1W Eu1 C8 71.1(12) . 2_664 ?
O4W Eu1 C8 93.3(10) . 2_664 ?
O2W Eu1 C8 104.0(13) . 2_664 ?
O2 Eu1 C8 80.4(12) . 2_664 ?
O1 Eu1 C8 83.7(14) . 2_664 ?
O3W Eu1 C8 154.2(14) . 2_664 ?
O5 Eu1 C8 24.4(11) 2_664 2_664 ?
O7 Eu1 C8 136.6(13) . 2_664 ?
O6 Eu1 C8 28.3(11) 2_664 2_664 ?
O1W Eu1 C1 152.4(13) . . ?
O4W Eu1 C1 101.3(11) . . ?
O2W Eu1 C1 100.2(12) . . ?
O2 Eu1 C1 27.4(12) . . ?
O1 Eu1 C1 23.2(13) . . ?
O3W Eu1 C1 73.3(14) . . ?
O5 Eu1 C1 82.4(13) 2_664 . ?
O7 Eu1 C1 141.6(14) . . ?
O6 Eu1 C1 81.7(13) 2_664 . ?
C8 Eu1 C1 81.4(5) 2_664 . ?
C1 O1 Eu1 99(3) . . ?
C1 O2 Eu1 94(3) . . ?
C8 O5 Eu1 95(3) . 2_665 ?
C8 O6 Eu1 89(3) . 2_665 ?
N1 O7 Eu1 136.5(12) . . ?
O7 N1 O9 118.4(16) . . ?
O7 N1 O8 121.3(16) . . ?
O9 N1 O8 120.3(14) . . ?
O1 C1 O2 116(4) . . ?
O1 C1 C2 127(4) . . ?
O2 C1 C2 117(4) . . ?
O1 C1 Eu1 58(3) . . ?
O2 C1 Eu1 59(2) . . ?
C2 C1 Eu1 173(3) . . ?
C3 C2 C7 124(4) . . ?
C3 C2 C1 116(4) . . ?
C7 C2 C1 120(4) . . ?
C2 C3 C4 116(5) . . ?
O4 C4 C5 123(4) . . ?
O4 C4 C3 116(4) . . ?
C5 C4 C3 120(4) . . ?
C4 C5 C8 121(4) . . ?
C4 C5 C6 116(4) . . ?
C8 C5 C6 123(5) . . ?
C7 C6 C5 122(4) . . ?
C6 C7 O3 118(4) . . ?
C6 C7 C2 119(3) . . ?
O3 C7 C2 123(4) . . ?
O5 C8 O6 123(5) . . ?
O5 C8 C5 119(5) . . ?
O6 C8 C5 118(4) . . ?
O5 C8 Eu1 61(2) . 2_665 ?
O6 C8 Eu1 63(2) . 2_665 ?
C5 C8 Eu1 179(4) . 2_665 ?

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 O7 N1 O9 -180(5) . . . . ?
Eu1 O7 N1 O8 2(9) . . . . ?
Eu1 O1 C1 O2 0(5) . . . . ?
Eu1 O1 C1 C2 174(4) . . . . ?
Eu1 O2 C1 O1 0(5) . . . . ?
Eu1 O2 C1 C2 -175(4) . . . . ?
O1 C1 C2 C3 9(8) . . . . ?
O2 C1 C2 C3 -177(5) . . . . ?
O1 C1 C2 C7 -174(5) . . . . ?
O2 C1 C2 C7 0(7) . . . . ?
C7 C2 C3 C4 9(7) . . . . ?
C1 C2 C3 C4 -173(4) . . . . ?
C2 C3 C4 O4 175(5) . . . . ?
C2 C3 C4 C5 -15(6) . . . . ?
O4 C4 C5 C8 0(8) . . . . ?
C3 C4 C5 C8 -169(4) . . . . ?
O4 C4 C5 C6 179(4) . . . . ?
C3 C4 C5 C6 10(7) . . . . ?
C4 C5 C6 C7 2(6) . . . . ?
C8 C5 C6 C7 -180(5) . . . . ?
C5 C6 C7 O3 177(4) . . . . ?
C5 C6 C7 C2 -8(6) . . . . ?
C3 C2 C7 C6 1(7) . . . . ?
C1 C2 C7 C6 -176(4) . . . . ?
C3 C2 C7 O3 176(5) . . . . ?
C1 C2 C7 O3 -1(7) . . . . ?
Eu1 O5 C8 O6 -1(5) 2_665 . . . ?
Eu1 O5 C8 C5 -179(4) 2_665 . . . ?
Eu1 O6 C8 O5 1(5) 2_665 . . . ?
Eu1 O6 C8 C5 179(4) 2_665 . . . ?
C4 C5 C8 O5 2(8) . . . . ?
C6 C5 C8 O5 -176(4) . . . . ?
C4 C5 C8 O6 -176(5) . . . . ?
C6 C5 C8 O6 5(7) . . . . ?

_refine_diff_density_max         5.387
_refine_diff_density_min         -4.474
_refine_diff_density_rms         0.398



