# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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_JXUST-9
_database_code_depnum_ccdc_archive 'CCDC 2127543'
loop_
_audit_author_name
_audit_author_address
'Qiqi He'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2021-12-21 deposited with the CCDC.	2021-12-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45 H49 Eu3 N12 O24 S4'
_chemical_formula_weight         1726.08

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_space_group_name_Hall           'C 2c 2'

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

_cell_length_a                   14.7170(6)
_cell_length_b                   14.3696(6)
_cell_length_c                   23.7326(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5018.9(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9359
_cell_measurement_theta_min      5.797
_cell_measurement_theta_max      54.955

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.284
_exptl_crystal_F_000             3392
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_exptl_absorpt_coefficient_mu    3.976
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38458
_diffrn_reflns_av_unetI/netI     0.0195
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.962
_diffrn_reflns_theta_max         27.489
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5764
_reflns_number_gt                5596
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.818
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    0.999

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component 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)+(0.0701P)²+78.8596P] 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     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.19(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         5764
_refine_ls_number_parameters     309
_refine_ls_number_restraints     84
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0384
_refine_ls_wR_factor_ref         0.1166
_refine_ls_wR_factor_gt          0.1154
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_restrained_S_all      1.196
_refine_ls_shift/su_max          0.001
_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 0.500000 -0.37166(4) -0.750000 0.01041(16) Uani 1 2 d S T P . .
S1 S 0.4052(5) -0.5619(6) -0.6742(3) 0.0870(17) Uani 1 1 d . U . . .
Eu2 Eu 0.07664(3) -0.82117(3) -0.58664(2) 0.01264(14) Uani 1 1 d . . . . .
S2 S 0.2755(6) -0.2392(6) -0.4743(3) 0.0883(17) Uani 1 1 d . U . . .
O1 O 0.0679(6) -0.7397(5) -0.6970(3) 0.0210(16) Uani 1 1 d . . . . .
O1W O 0.0245(9) -0.6624(6) -0.5825(5) 0.049(3) Uani 1 1 d . . . . .
O2 O 0.1872(6) -0.7311(7) -0.6408(4) 0.029(2) Uani 1 1 d . . . . .
O3 O 0.2926(6) -0.4251(7) -0.8833(4) 0.030(2) Uani 1 1 d . . . . .
O4 O 0.4137(6) -0.4256(6) -0.8289(3) 0.0203(16) Uani 1 1 d . . . . .
O5 O -0.0525(5) -0.1992(8) -0.5862(4) 0.033(2) Uani 1 1 d . . . A -1
O6 O 0.0028(6) -0.2038(7) -0.5005(3) 0.0265(18) Uani 1 1 d . . . B -1
O7 O 0.4248(6) -0.3371(8) -0.6115(4) 0.033(2) Uani 1 1 d . . . . .
O8 O 0.3716(6) -0.3234(7) -0.6986(3) 0.0266(18) Uani 1 1 d . . . . .
O9 O 0.0643(9) -0.9691(7) -0.5424(4) 0.043(3) Uani 1 1 d . . . . .
N1 N 0.3339(11) -0.6150(11) -0.6665(6) 0.052(3) Uani 1 1 d . U . C -1
N2 N 0.4039(9) -0.5133(9) -0.7229(7) 0.0460(19) Uani 1 1 d . U . . .
N3 N 0.1887(12) -0.2199(10) -0.4855(5) 0.044(2) Uani 1 1 d . U . . .
N4 N 0.3223(12) -0.2647(13) -0.5202(8) 0.061(2) Uani 1 1 d . U . D -1
C1 C 0.1458(9) -0.7077(7) -0.6863(5) 0.020(2) Uani 1 1 d . . . . .
C2 C 0.1934(7) -0.6427(7) -0.7248(4) 0.020(2) Uani 1 1 d D . . . .
C3 C 0.2786(7) -0.6044(8) -0.7118(5) 0.020(2) Uani 1 1 d D . . . .
C4 C 0.3242(10) -0.5420(10) -0.7473(6) 0.045(2) Uani 1 1 d D U . . .
C5 C 0.2847(7) -0.5149(8) -0.7985(5) 0.026(2) Uani 1 1 d D U . . .
C6 C 0.1552(8) -0.6136(8) -0.7758(4) 0.024(2) Uani 1 1 d D . . . .
H6 H 0.097929 -0.635427 -0.785736 0.028 Uiso 1 1 calc R U . . .
C7 C 0.2002(7) -0.5527(7) -0.8124(5) 0.020(2) Uani 1 1 d D . . . .
H7 H 0.173319 -0.537144 -0.846586 0.024 Uiso 1 1 calc R U . . .
C8 C 0.3313(7) -0.4526(7) -0.8399(5) 0.017(2) Uani 1 1 d . . . . .
C9 C 0.0089(8) -0.2065(8) -0.5547(5) 0.021(2) Uani 1 1 d . . . . .
C10 C 0.1034(6) -0.2271(9) -0.5769(4) 0.022(2) Uani 1 1 d D . . . .
C11 C 0.1811(6) -0.2340(8) -0.5434(4) 0.017(2) Uani 1 1 d D U . . .
C12 C 0.2650(9) -0.2636(12) -0.5652(5) 0.042(2) Uani 1 1 d D U . . .
C13 C 0.1144(8) -0.2439(10) -0.6348(4) 0.028(3) Uani 1 1 d D . . . .
H13 H 0.065152 -0.237864 -0.659099 0.034 Uiso 1 1 calc R U . . .
C14 C 0.1994(7) -0.2697(10) -0.6559(5) 0.027(3) Uani 1 1 d D . . . .
H14 H 0.205515 -0.278065 -0.694609 0.033 Uiso 1 1 calc R U . . .
C15 C 0.2748(7) -0.2833(9) -0.6221(4) 0.023(2) Uani 1 1 d D U . . .
C16 C 0.3630(8) -0.3160(9) -0.6452(4) 0.021(2) Uani 1 1 d . . . . .
C17 C 0.0274(16) -1.000000 -0.500000 0.039(5) Uani 1 2 d S T P . .
H17 H -0.035766 -1.000002 -0.500001 0.047 Uiso 1 2 calc 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 O8 2.354(8) . ?
Eu1 O8 2.354(8) 4_653 ?
Eu1 O4 2.392(7) . ?
Eu1 O4 2.392(7) 4_653 ?
Eu1 O1 2.485(8) 5 ?
Eu1 O1 2.485(8) 8_553 ?
Eu1 N2 2.560(14) 4_653 ?
Eu1 N2 2.560(14) . ?
Eu1 Eu2 4.1024(5) 5 ?
Eu1 Eu2 4.1024(5) 8_553 ?
S1 N1 1.310(19) . ?
S1 N2 1.350(18) . ?
S1 C3 2.154(13) . ?
Eu2 O7 2.323(9) 5_445 ?
Eu2 O9 2.377(10) . ?
Eu2 O1W 2.409(9) . ?
Eu2 O2 2.444(8) . ?
Eu2 N3 2.449(14) 3_544 ?
Eu2 O4 2.508(8) 8_543 ?
Eu2 O3 2.539(9) 8_543 ?
Eu2 O1 2.872(8) . ?
Eu2 C8 2.905(11) 8_543 ?
Eu2 S2 3.378(8) 3_544 ?
S2 N3 1.335(18) . ?
S2 N4 1.34(2) . ?
S2 C12 2.192(15) . ?
O1 C1 1.261(15) . ?
O2 C1 1.285(15) . ?
O3 C8 1.241(14) . ?
O4 C8 1.300(13) . ?
O5 C9 1.177(14) . ?
O6 C9 1.291(13) . ?
O7 C16 1.248(15) . ?
O8 C16 1.279(13) . ?
O9 C17 1.227(15) . ?
N1 C3 1.356(16) . ?
N2 C4 1.37(2) . ?
N3 C11 1.394(14) . ?
N4 C12 1.36(2) . ?
C1 C2 1.482(14) . ?
C2 C6 1.398(10) . ?
C2 C3 1.403(11) . ?
C3 C4 1.402(12) . ?
C4 C5 1.401(12) . ?
C5 C7 1.397(11) . ?
C5 C8 1.496(15) . ?
C6 C7 1.399(10) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C9 C10 1.516(14) . ?
C10 C11 1.396(10) . ?
C10 C13 1.406(11) . ?
C11 C12 1.406(11) . ?
C12 C15 1.387(12) . ?
C13 C14 1.397(11) . ?
C13 H13 0.9300 . ?
C14 C15 1.384(11) . ?
C14 H14 0.9300 . ?
C15 C16 1.484(15) . ?
C17 H17 0.9300 . ?

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
O8 Eu1 O8 145.7(5) . 4_653 ?
O8 Eu1 O4 94.3(3) . . ?
O8 Eu1 O4 96.7(3) 4_653 . ?
O8 Eu1 O4 96.7(3) . 4_653 ?
O8 Eu1 O4 94.3(3) 4_653 4_653 ?
O4 Eu1 O4 142.2(4) . 4_653 ?
O8 Eu1 O1 80.5(3) . 5 ?
O8 Eu1 O1 73.4(3) 4_653 5 ?
O4 Eu1 O1 149.0(3) . 5 ?
O4 Eu1 O1 68.8(3) 4_653 5 ?
O8 Eu1 O1 73.4(3) . 8_553 ?
O8 Eu1 O1 80.5(3) 4_653 8_553 ?
O4 Eu1 O1 68.8(3) . 8_553 ?
O4 Eu1 O1 149.0(3) 4_653 8_553 ?
O1 Eu1 O1 80.5(4) 5 8_553 ?
O8 Eu1 N2 143.9(4) . 4_653 ?
O8 Eu1 N2 70.2(4) 4_653 4_653 ?
O4 Eu1 N2 80.7(4) . 4_653 ?
O4 Eu1 N2 69.2(4) 4_653 4_653 ?
O1 Eu1 N2 120.8(4) 5 4_653 ?
O1 Eu1 N2 134.5(4) 8_553 4_653 ?
O8 Eu1 N2 70.2(4) . . ?
O8 Eu1 N2 143.9(4) 4_653 . ?
O4 Eu1 N2 69.2(4) . . ?
O4 Eu1 N2 80.7(4) 4_653 . ?
O1 Eu1 N2 134.5(4) 5 . ?
O1 Eu1 N2 120.8(4) 8_553 . ?
N2 Eu1 N2 74.7(5) 4_653 . ?
O8 Eu1 Eu2 71.3(2) . 5 ?
O8 Eu1 Eu2 102.5(2) 4_653 5 ?
O4 Eu1 Eu2 160.61(19) . 5 ?
O4 Eu1 Eu2 34.05(19) 4_653 5 ?
O1 Eu1 Eu2 43.63(18) 5 5 ?
O1 Eu1 Eu2 116.99(18) 8_553 5 ?
N2 Eu1 Eu2 103.1(4) 4_653 5 ?
N2 Eu1 Eu2 93.2(4) . 5 ?
O8 Eu1 Eu2 102.5(2) . 8_553 ?
O8 Eu1 Eu2 71.3(2) 4_653 8_553 ?
O4 Eu1 Eu2 34.05(19) . 8_553 ?
O4 Eu1 Eu2 160.61(19) 4_653 8_553 ?
O1 Eu1 Eu2 116.99(18) 5 8_553 ?
O1 Eu1 Eu2 43.63(18) 8_553 8_553 ?
N2 Eu1 Eu2 93.2(4) 4_653 8_553 ?
N2 Eu1 Eu2 103.1(4) . 8_553 ?
Eu2 Eu1 Eu2 159.63(2) 5 8_553 ?
N1 S1 N2 114.2(9) . . ?
N1 S1 C3 36.8(6) . . ?
N2 S1 C3 77.3(7) . . ?
O7 Eu2 O9 87.1(4) 5_445 . ?
O7 Eu2 O1W 78.3(4) 5_445 . ?
O9 Eu2 O1W 143.5(4) . . ?
O7 Eu2 O2 124.0(3) 5_445 . ?
O9 Eu2 O2 139.1(4) . . ?
O1W Eu2 O2 74.5(4) . . ?
O7 Eu2 N3 148.1(4) 5_445 3_544 ?
O9 Eu2 N3 87.6(4) . 3_544 ?
O1W Eu2 N3 87.6(4) . 3_544 ?
O2 Eu2 N3 78.0(4) . 3_544 ?
O7 Eu2 O4 78.0(3) 5_445 8_543 ?
O9 Eu2 O4 79.7(3) . 8_543 ?
O1W Eu2 O4 128.1(3) . 8_543 ?
O2 Eu2 O4 81.9(3) . 8_543 ?
N3 Eu2 O4 131.7(4) 3_544 8_543 ?
O7 Eu2 O3 126.9(3) 5_445 8_543 ?
O9 Eu2 O3 69.9(4) . 8_543 ?
O1W Eu2 O3 144.1(4) . 8_543 ?
O2 Eu2 O3 70.1(3) . 8_543 ?
N3 Eu2 O3 80.1(4) 3_544 8_543 ?
O4 Eu2 O3 51.7(3) 8_543 8_543 ?
O7 Eu2 O1 76.4(3) 5_445 . ?
O9 Eu2 O1 139.8(3) . . ?
O1W Eu2 O1 68.7(3) . . ?
O2 Eu2 O1 48.3(3) . . ?
N3 Eu2 O1 124.7(4) 3_544 . ?
O4 Eu2 O1 61.2(2) 8_543 . ?
O3 Eu2 O1 91.0(3) 8_543 . ?
O7 Eu2 C8 103.5(3) 5_445 8_543 ?
O9 Eu2 C8 73.7(4) . 8_543 ?
O1W Eu2 C8 142.1(3) . 8_543 ?
O2 Eu2 C8 73.6(3) . 8_543 ?
N3 Eu2 C8 105.2(4) 3_544 8_543 ?
O4 Eu2 C8 26.5(3) 8_543 8_543 ?
O3 Eu2 C8 25.2(3) 8_543 8_543 ?
O1 Eu2 C8 74.9(3) . 8_543 ?
O7 Eu2 S2 165.4(3) 5_445 3_544 ?
O9 Eu2 S2 96.2(3) . 3_544 ?
O1W Eu2 S2 90.9(4) . 3_544 ?
O2 Eu2 S2 60.8(3) . 3_544 ?
N3 Eu2 S2 19.2(4) 3_544 3_544 ?
O4 Eu2 S2 116.5(2) 8_543 3_544 ?
O3 Eu2 S2 67.3(2) 8_543 3_544 ?
O1 Eu2 S2 108.9(2) . 3_544 ?
C8 Eu2 S2 91.1(3) 8_543 3_544 ?
O7 Eu2 Eu1 58.6(2) 5_445 5_445 ?
O9 Eu2 Eu1 103.8(3) . 5_445 ?
O1W Eu2 Eu1 96.8(3) . 5_445 ?
O2 Eu2 Eu1 77.3(2) . 5_445 ?
N3 Eu2 Eu1 152.7(4) 3_544 5_445 ?
O4 Eu2 Eu1 32.28(17) 8_543 5_445 ?
O3 Eu2 Eu1 80.7(2) 8_543 5_445 ?
O1 Eu2 Eu1 36.67(16) . 5_445 ?
C8 Eu2 Eu1 56.4(2) 8_543 5_445 ?
S2 Eu2 Eu1 133.49(14) 3_544 5_445 ?
N3 S2 N4 112.7(11) . . ?
N3 S2 C12 76.7(7) . . ?
N4 S2 C12 36.1(8) . . ?
N3 S2 Eu2 37.1(5) . 3_544 ?
N4 S2 Eu2 149.7(9) . 3_544 ?
C12 S2 Eu2 113.7(5) . 3_544 ?
C1 O1 Eu1 138.2(8) . 5_445 ?
C1 O1 Eu2 85.7(6) . . ?
Eu1 O1 Eu2 99.7(3) 5_445 . ?
C1 O2 Eu2 105.4(7) . . ?
C8 O3 Eu2 94.1(7) . 8_553 ?
C8 O4 Eu1 138.5(7) . . ?
C8 O4 Eu2 94.1(6) . 8_553 ?
Eu1 O4 Eu2 113.7(3) . 8_553 ?
C16 O7 Eu2 147.1(9) . 5 ?
C16 O8 Eu1 128.2(8) . . ?
C17 O9 Eu2 136.0(9) . . ?
S1 N1 C3 107.8(11) . . ?
S1 N2 C4 102.6(11) . . ?
S1 N2 Eu1 128.2(9) . . ?
C4 N2 Eu1 127.3(11) . . ?
S2 N3 C11 104.1(10) . . ?
S2 N3 Eu2 123.7(8) . 3_544 ?
C11 N3 Eu2 132.1(11) . 3_544 ?
S2 N4 C12 108.5(14) . . ?
O1 C1 O2 120.2(10) . . ?
O1 C1 C2 122.4(10) . . ?
O2 C1 C2 117.3(10) . . ?
C6 C2 C3 115.6(10) . . ?
C6 C2 C1 122.1(9) . . ?
C3 C2 C1 122.2(9) . . ?
N1 C3 C4 105.1(12) . . ?
N1 C3 C2 131.8(11) . . ?
C4 C3 C2 123.1(11) . . ?
N1 C3 S1 35.4(8) . . ?
C4 C3 S1 69.7(8) . . ?
C2 C3 S1 167.2(9) . . ?
N2 C4 C5 129.6(12) . . ?
N2 C4 C3 110.4(12) . . ?
C5 C4 C3 120.0(12) . . ?
C7 C5 C4 117.8(11) . . ?
C7 C5 C8 119.0(10) . . ?
C4 C5 C8 123.1(10) . . ?
C2 C6 C7 122.3(10) . . ?
C2 C6 H6 118.9 . . ?
C7 C6 H6 118.9 . . ?
C5 C7 C6 121.2(10) . . ?
C5 C7 H7 119.4 . . ?
C6 C7 H7 119.4 . . ?
O3 C8 O4 120.0(10) . . ?
O3 C8 C5 121.7(10) . . ?
O4 C8 C5 118.3(10) . . ?
O3 C8 Eu2 60.6(6) . 8_553 ?
O4 C8 Eu2 59.4(5) . 8_553 ?
C5 C8 Eu2 175.6(8) . 8_553 ?
O5 C9 O6 125.2(11) . . ?
O5 C9 C10 120.1(10) . . ?
O6 C9 C10 114.5(10) . . ?
C11 C10 C13 116.7(9) . . ?
C11 C10 C9 124.6(9) . . ?
C13 C10 C9 118.6(9) . . ?
N3 C11 C10 128.1(11) . . ?
N3 C11 C12 109.7(11) . . ?
C10 C11 C12 122.1(10) . . ?
N4 C12 C15 134.2(13) . . ?
N4 C12 C11 105.0(12) . . ?
C15 C12 C11 120.8(12) . . ?
N4 C12 S2 35.4(9) . . ?
C15 C12 S2 169.7(11) . . ?
C11 C12 S2 69.6(6) . . ?
C14 C13 C10 120.0(10) . . ?
C14 C13 H13 120.0 . . ?
C10 C13 H13 120.0 . . ?
C15 C14 C13 123.2(10) . . ?
C15 C14 H14 118.4 . . ?
C13 C14 H14 118.4 . . ?
C14 C15 C12 116.9(11) . . ?
C14 C15 C16 122.2(9) . . ?
C12 C15 C16 120.9(10) . . ?
O7 C16 O8 122.8(11) . . ?
O7 C16 C15 118.5(9) . . ?
O8 C16 C15 118.6(10) . . ?
O9 C17 O9 128(2) . 3_534 ?
O9 C17 H17 116.2 . . ?
O9 C17 H17 116.2 3_534 . ?

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
N2 S1 N1 C3 0.1(16) . . . . ?
N1 S1 N2 C4 -1.3(15) . . . . ?
C3 S1 N2 C4 -1.3(10) . . . . ?
N1 S1 N2 Eu1 163.4(10) . . . . ?
C3 S1 N2 Eu1 163.4(9) . . . . ?
N4 S2 N3 C11 -0.4(16) . . . . ?
C12 S2 N3 C11 -0.7(9) . . . . ?
Eu2 S2 N3 C11 -176.9(16) 3_544 . . . ?
N4 S2 N3 Eu2 176.5(10) . . . 3_544 ?
C12 S2 N3 Eu2 176.2(10) . . . 3_544 ?
N3 S2 N4 C12 -0.5(19) . . . . ?
Eu2 S2 N4 C12 4(3) 3_544 . . . ?
Eu1 O1 C1 O2 -94.0(14) 5_445 . . . ?
Eu2 O1 C1 O2 5.8(11) . . . . ?
Eu1 O1 C1 C2 85.9(14) 5_445 . . . ?
Eu2 O1 C1 C2 -174.4(11) . . . . ?
Eu2 O2 C1 O1 -7.0(13) . . . . ?
Eu2 O2 C1 C2 173.1(8) . . . . ?
O1 C1 C2 C6 -0.8(18) . . . . ?
O2 C1 C2 C6 179.1(11) . . . . ?
O1 C1 C2 C3 177.5(11) . . . . ?
O2 C1 C2 C3 -2.7(18) . . . . ?
S1 N1 C3 C4 1.2(16) . . . . ?
S1 N1 C3 C2 -178.4(13) . . . . ?
C6 C2 C3 N1 178.7(14) . . . . ?
C1 C2 C3 N1 0(2) . . . . ?
C6 C2 C3 C4 -0.9(18) . . . . ?
C1 C2 C3 C4 -179.2(12) . . . . ?
C6 C2 C3 S1 175(4) . . . . ?
C1 C2 C3 S1 -4(5) . . . . ?
S1 N2 C4 C5 179.1(15) . . . . ?
Eu1 N2 C4 C5 14(2) . . . . ?
S1 N2 C4 C3 2.0(16) . . . . ?
Eu1 N2 C4 C3 -162.9(9) . . . . ?
N1 C3 C4 N2 -2.0(17) . . . . ?
C2 C3 C4 N2 177.6(12) . . . . ?
S1 C3 C4 N2 -1.3(10) . . . . ?
N1 C3 C4 C5 -179.5(14) . . . . ?
C2 C3 C4 C5 0(2) . . . . ?
S1 C3 C4 C5 -178.7(16) . . . . ?
N2 C4 C5 C7 -177.5(15) . . . . ?
C3 C4 C5 C7 -1(2) . . . . ?
N2 C4 C5 C8 6(2) . . . . ?
C3 C4 C5 C8 -176.8(12) . . . . ?
C3 C2 C6 C7 2.1(18) . . . . ?
C1 C2 C6 C7 -179.6(11) . . . . ?
C4 C5 C7 C6 1.7(19) . . . . ?
C8 C5 C7 C6 178.1(11) . . . . ?
C2 C6 C7 C5 -2.6(19) . . . . ?
Eu2 O3 C8 O4 -2.9(11) 8_553 . . . ?
Eu2 O3 C8 C5 175.6(9) 8_553 . . . ?
Eu1 O4 C8 O3 136.4(10) . . . . ?
Eu2 O4 C8 O3 3.0(11) 8_553 . . . ?
Eu1 O4 C8 C5 -42.2(16) . . . . ?
Eu2 O4 C8 C5 -175.7(9) 8_553 . . . ?
Eu1 O4 C8 Eu2 133.5(11) . . . 8_553 ?
C7 C5 C8 O3 8.3(17) . . . . ?
C4 C5 C8 O3 -175.5(13) . . . . ?
C7 C5 C8 O4 -173.1(11) . . . . ?
C4 C5 C8 O4 3.1(18) . . . . ?
O5 C9 C10 C11 177.8(12) . . . . ?
O6 C9 C10 C11 -6.2(18) . . . . ?
O5 C9 C10 C13 -4.5(19) . . . . ?
O6 C9 C10 C13 171.5(12) . . . . ?
S2 N3 C11 C10 177.2(12) . . . . ?
Eu2 N3 C11 C10 1(2) 3_544 . . . ?
S2 N3 C11 C12 1.1(15) . . . . ?
Eu2 N3 C11 C12 -175.5(11) 3_544 . . . ?
C13 C10 C11 N3 179.3(13) . . . . ?
C9 C10 C11 N3 -3(2) . . . . ?
C13 C10 C11 C12 -5.1(19) . . . . ?
C9 C10 C11 C12 172.6(13) . . . . ?
S2 N4 C12 C15 -179.8(17) . . . . ?
S2 N4 C12 C11 1.1(19) . . . . ?
N3 C11 C12 N4 -1.4(17) . . . . ?
C10 C11 C12 N4 -177.8(13) . . . . ?
N3 C11 C12 C15 179.3(14) . . . . ?
C10 C11 C12 C15 3(2) . . . . ?
N3 C11 C12 S2 -0.7(9) . . . . ?
C10 C11 C12 S2 -177.1(12) . . . . ?
C11 C10 C13 C14 2(2) . . . . ?
C9 C10 C13 C14 -175.4(12) . . . . ?
C10 C13 C14 C15 2(2) . . . . ?
C13 C14 C15 C12 -5(2) . . . . ?
C13 C14 C15 C16 176.4(13) . . . . ?
N4 C12 C15 C14 -177.1(19) . . . . ?
C11 C12 C15 C14 2(2) . . . . ?
S2 C12 C15 C14 -178(7) . . . . ?
N4 C12 C15 C16 2(3) . . . . ?
C11 C12 C15 C16 -179.0(12) . . . . ?
S2 C12 C15 C16 1(8) . . . . ?
Eu2 O7 C16 O8 50(2) 5 . . . ?
Eu2 O7 C16 C15 -131.3(13) 5 . . . ?
Eu1 O8 C16 O7 -2.0(19) . . . . ?
Eu1 O8 C16 C15 179.7(8) . . . . ?
C14 C15 C16 O7 -171.7(13) . . . . ?
C12 C15 C16 O7 9(2) . . . . ?
C14 C15 C16 O8 7(2) . . . . ?
C12 C15 C16 O8 -172.3(13) . . . . ?
Eu2 O9 C17 O9 -112.8(15) . . . 3_534 ?

_refine_diff_density_max         2.050
_refine_diff_density_min         -2.823
_refine_diff_density_rms         0.241




