# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_euflu1
_database_code_depnum_ccdc_archive 'CCDC 2264978'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Starynowicz'
;Uniwersytet Wroclawski, Wydzial Chemii
Poland
;
_audit_update_record             
;
2023-07-14 deposited with the CCDC.	2023-07-19 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            'C8 H2 Eu F18 O9 S2'
_chemical_formula_weight         800.18

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'
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/c'
_space_group_name_Hall           '-P 2ybc'

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

_cell_length_a                   19.004(2)
_cell_length_b                   10.4540(10)
_cell_length_c                   10.1710(10)
_cell_angle_alpha                90
_cell_angle_beta                 92.910(10)
_cell_angle_gamma                90
_cell_volume                     2018.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    80.0(5)
_cell_measurement_reflns_used    4316
_cell_measurement_theta_min      3.7620
_cell_measurement_theta_max      28.7070

_exptl_crystal_description       'rectangular plate'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.634
_exptl_crystal_F_000             1516
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.122
_exptl_crystal_size_mid          0.116
_exptl_crystal_size_min          0.062
_exptl_absorpt_coefficient_mu    3.524
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.726
_exptl_absorpt_correction_T_max  0.827
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.80a (Rigaku Oxford Diffraction, 2020)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      80(2)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini ultra'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Ruby
_diffrn_detector_area_resol_mean 10.3456
_diffrn_reflns_number            13715
_diffrn_reflns_av_unetI/netI     0.0826
_diffrn_reflns_av_R_equivalents  0.0662
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.220
_diffrn_reflns_theta_max         28.962
_diffrn_reflns_theta_full        27.500
_diffrn_measured_fraction_theta_max 0.891
_diffrn_measured_fraction_theta_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.891
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.891
_diffrn_reflns_point_group_measured_fraction_full 0.975
_reflns_number_total             4761
_reflns_number_gt                3804
_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.
;

_computing_data_collection       'CrysAlisPro 1.171.41.80a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.80a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.80a (Rigaku OD, 2020)'
_computing_structure_solution    SHELXS
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond version 4.6.8'
_computing_publication_material  'publCIF (version 1.9.21_c)'
_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)+(0.0334P)²+13.5370P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     vecmap
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4761
_refine_ls_number_parameters     351
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_gt           0.0554
_refine_ls_wR_factor_ref         0.1281
_refine_ls_wR_factor_gt          0.1167
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_restrained_S_all      1.079
_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
Eu Eu 0.47260(2) 0.26123(4) 0.87320(3) 0.01669(13) Uani 1 1 d . . . . .
S1 S 0.40395(8) 0.48214(19) 0.60676(16) 0.0161(4) Uani 1 1 d . . . . .
S2 S 0.60795(8) 0.51765(19) 0.87268(16) 0.0165(4) Uani 1 1 d . . . . .
F1 F 0.3142(2) 0.6414(5) 0.6950(4) 0.0256(10) Uani 1 1 d . . . . .
F2 F 0.2789(2) 0.4414(5) 0.6874(4) 0.0271(11) Uani 1 1 d . . . . .
F3 F 0.3051(2) 0.6490(5) 0.4233(4) 0.0260(10) Uani 1 1 d . . . . .
F4 F 0.2654(2) 0.4562(4) 0.4192(4) 0.0254(10) Uani 1 1 d . . . . .
F5 F 0.1780(3) 0.7394(8) 0.3553(7) 0.074(2) Uani 1 1 d . . . . .
F6 F 0.1416(3) 0.5551(7) 0.3434(7) 0.074(2) Uani 1 1 d . . . . .
F7 F 0.0405(3) 0.7210(7) 0.4130(6) 0.064(2) Uani 1 1 d . . . . .
F8 F 0.1084(3) 0.7895(8) 0.5715(7) 0.074(2) Uani 1 1 d . . . . .
F9 F 0.0694(3) 0.5992(11) 0.5727(9) 0.124(4) Uani 1 1 d . . . . .
F10 F 0.6984(2) 0.4178(4) 1.0370(4) 0.0233(10) Uani 1 1 d . . . . .
F11 F 0.7314(2) 0.4181(5) 0.8366(4) 0.0264(11) Uani 1 1 d . . . . .
F12 F 0.7559(2) 0.6710(5) 0.8454(5) 0.0353(12) Uani 1 1 d . . . . .
F13 F 0.7109(2) 0.6860(5) 1.0350(5) 0.0317(11) Uani 1 1 d . . . . .
F14 F 0.8470(3) 0.7697(6) 1.0381(6) 0.0497(16) Uani 1 1 d . . . . .
F15 F 0.9018(3) 0.6357(7) 0.9197(5) 0.0560(18) Uani 1 1 d . . . . .
F16 F 0.9659(3) 0.6835(9) 1.1602(6) 0.078(2) Uani 1 1 d . . . . .
F17 F 0.8743(3) 0.6180(7) 1.2544(5) 0.0535(17) Uani 1 1 d . . . . .
F18 F 0.9323(3) 0.4863(8) 1.1365(6) 0.065(2) Uani 1 1 d . . . . .
O1 O 0.4272(2) 0.4552(5) 0.7419(5) 0.0193(11) Uani 1 1 d . . . . .
O2 O 0.4003(2) 0.3721(5) 0.5236(5) 0.0203(11) Uani 1 1 d . . . . .
O3 O 0.4383(2) 0.5931(5) 0.5535(5) 0.0195(11) Uani 1 1 d . . . . .
O4 O 0.2061(3) 0.6066(6) 0.5250(5) 0.0329(15) Uani 1 1 d . . . . .
O5 O 0.5839(2) 0.3921(5) 0.8288(5) 0.0184(11) Uani 1 1 d . . . . .
O6 O 0.6091(2) 0.6124(5) 0.7703(5) 0.0198(11) Uani 1 1 d . . . . .
O7 O 0.5760(2) 0.5581(5) 0.9912(5) 0.0212(12) Uani 1 1 d . . . . .
O8 O 0.8073(3) 0.5681(6) 1.0187(5) 0.0289(13) Uani 1 1 d . . . . .
OW O 0.5364(3) 0.2089(7) 0.6335(5) 0.0206(12) Uani 1 1 d . . . . .
C1 C 0.3124(3) 0.5352(8) 0.6229(7) 0.0193(16) Uani 1 1 d . . . . .
C2 C 0.2705(4) 0.5622(8) 0.4925(8) 0.0221(17) Uani 1 1 d . . . . .
C3 C 0.1559(4) 0.6429(11) 0.4320(9) 0.039(2) Uani 1 1 d . . . . .
C4 C 0.0901(5) 0.6819(16) 0.4992(11) 0.067(4) Uani 1 1 d . . . . .
C5 C 0.7003(3) 0.4898(8) 0.9276(7) 0.0204(16) Uani 1 1 d . . . . .
C6 C 0.7453(4) 0.6066(8) 0.9567(8) 0.0241(17) Uani 1 1 d . . . . .
C7 C 0.8652(4) 0.6487(11) 1.0267(9) 0.036(2) Uani 1 1 d . . . . .
C8 C 0.9112(5) 0.6070(15) 1.1479(9) 0.059(4) Uani 1 1 d . . . . .
H1W H 0.564(6) 0.274(10) 0.649(11) 0.05(3) Uiso 1 1 d . . . . .
H2W H 0.549(4) 0.139(9) 0.629(8) 0.02(3) Uiso 1 1 d . . . . .

_vrf_PLAT213_euflu1              
;
PROBLEM: Atom F9              has ADP max/min Ratio .....        4.2 prolat
RESPONSE: This is probably a result of relateve low average intensity of 
the reflections; see: _diffrn_reflns_av_unetI/netI      0.0826
;


_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
Eu O3 2.526(5) 2_646 yes
Eu O2 2.527(5) 4_566 yes
Eu O7 2.540(5) 3_667 yes
Eu O1 2.554(5) . yes
Eu O5 2.578(5) . yes
Eu O6 2.595(5) 2_646 yes
Eu OW 2.831(5) . yes
Eu OW 2.873(5) 4_566 yes
S1 O2 1.427(5) . ?
S1 O1 1.450(5) . ?
S1 O3 1.450(5) . ?
S1 C1 1.841(7) . ?
S2 O6 1.439(5) . ?
S2 O7 1.441(5) . ?
S2 O5 1.453(5) . ?
S2 C5 1.838(7) . ?
F1 C1 1.330(9) . ?
F2 C1 1.356(8) . ?
F3 C2 1.340(9) . ?
F4 C2 1.336(9) . ?
F5 C3 1.355(12) . ?
F6 C3 1.305(11) . ?
F7 C4 1.320(11) . ?
F8 C4 1.379(15) . ?
F9 C4 1.222(16) . ?
F10 C5 1.346(8) . ?
F11 C5 1.351(8) . ?
F12 C6 1.342(9) . ?
F13 C6 1.342(9) . ?
F14 C7 1.318(11) . ?
F15 C7 1.328(9) . ?
F16 C8 1.314(12) . ?
F17 C8 1.325(10) . ?
F18 C8 1.331(15) . ?
O4 C2 1.365(8) . ?
O4 C3 1.364(10) . ?
O8 C6 1.368(9) . ?
O8 C7 1.385(10) . ?
C1 C2 1.538(10) . ?
C3 C4 1.510(12) . ?
C5 C6 1.511(11) . ?
C7 C8 1.537(13) . ?

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
O3 Eu O2 79.29(15) 2_646 4_566 ?
O3 Eu O7 127.87(16) 2_646 3_667 ?
O2 Eu O7 81.82(16) 4_566 3_667 ?
O3 Eu O1 155.55(14) 2_646 . ?
O2 Eu O1 125.09(15) 4_566 . ?
O7 Eu O1 64.58(16) 3_667 . ?
O3 Eu O5 82.97(16) 2_646 . ?
O2 Eu O5 151.05(16) 4_566 . ?
O7 Eu O5 91.42(15) 3_667 . ?
O1 Eu O5 75.26(16) . . ?
O3 Eu O6 97.00(16) 2_646 2_646 ?
O2 Eu O6 71.43(16) 4_566 2_646 ?
O7 Eu O6 121.83(15) 3_667 2_646 ?
O1 Eu O6 90.29(16) . 2_646 ?
O5 Eu O6 133.83(14) . 2_646 ?
O3 Eu OW 79.02(17) 2_646 . ?
O2 Eu OW 133.21(19) 4_566 . ?
O7 Eu OW 142.64(19) 3_667 . ?
O1 Eu OW 81.47(17) . . ?
O5 Eu OW 63.92(16) . . ?
O6 Eu OW 70.74(15) 2_646 . ?
O3 Eu OW 63.81(17) 2_646 4_566 ?
O2 Eu OW 73.68(17) 4_566 4_566 ?
O7 Eu OW 64.33(17) 3_667 4_566 ?
O1 Eu OW 120.74(19) . 4_566 ?
O5 Eu OW 78.01(16) . 4_566 ?
O6 Eu OW 142.77(18) 2_646 4_566 ?
OW Eu OW 129.46(19) . 4_566 ?
O2 S1 O1 114.1(3) . . ?
O2 S1 O3 115.6(3) . . ?
O1 S1 O3 112.8(3) . . ?
O2 S1 C1 106.1(3) . . ?
O1 S1 C1 102.6(3) . . ?
O3 S1 C1 103.8(3) . . ?
O6 S2 O7 115.2(3) . . ?
O6 S2 O5 114.6(3) . . ?
O7 S2 O5 112.5(3) . . ?
O6 S2 C5 106.2(3) . . ?
O7 S2 C5 103.2(3) . . ?
O5 S2 C5 103.4(3) . . ?
S1 O1 Eu 136.7(3) . . ?
S1 O2 Eu 142.4(3) . 4_565 ?
S1 O3 Eu 139.0(3) . 2_656 ?
C2 O4 C3 122.1(6) . . ?
S2 O5 Eu 132.4(3) . . ?
S2 O6 Eu 142.1(3) . 2_656 ?
S2 O7 Eu 148.5(3) . 3_667 ?
C6 O8 C7 120.8(7) . . ?
Eu OW Eu 126.4(2) . 4_565 ?
F1 C1 F2 109.7(5) . . ?
F1 C1 C2 108.7(6) . . ?
F2 C1 C2 108.4(6) . . ?
F1 C1 S1 107.6(5) . . ?
F2 C1 S1 107.1(5) . . ?
C2 C1 S1 115.4(5) . . ?
F4 C2 F3 107.0(6) . . ?
F4 C2 O4 112.1(6) . . ?
F3 C2 O4 111.5(7) . . ?
F4 C2 C1 110.4(6) . . ?
F3 C2 C1 109.4(6) . . ?
O4 C2 C1 106.5(6) . . ?
F6 C3 F5 100.7(8) . . ?
F6 C3 O4 113.4(9) . . ?
F5 C3 O4 112.3(8) . . ?
F6 C3 C4 110.8(8) . . ?
F5 C3 C4 110.4(10) . . ?
O4 C3 C4 109.1(7) . . ?
F9 C4 F7 112.6(11) . . ?
F9 C4 F8 109.3(10) . . ?
F7 C4 F8 104.7(11) . . ?
F9 C4 C3 112.7(12) . . ?
F7 C4 C3 111.3(9) . . ?
F8 C4 C3 105.7(10) . . ?
F10 C5 F11 106.7(6) . . ?
F10 C5 C6 109.1(6) . . ?
F11 C5 C6 108.6(5) . . ?
F10 C5 S2 106.0(4) . . ?
F11 C5 S2 108.9(5) . . ?
C6 C5 S2 117.0(6) . . ?
F13 C6 F12 106.8(7) . . ?
F13 C6 O8 110.0(6) . . ?
F12 C6 O8 111.9(6) . . ?
F13 C6 C5 109.2(6) . . ?
F12 C6 C5 110.4(6) . . ?
O8 C6 C5 108.6(7) . . ?
F14 C7 F15 108.7(8) . . ?
F14 C7 O8 112.2(7) . . ?
F15 C7 O8 109.8(8) . . ?
F14 C7 C8 110.0(9) . . ?
F15 C7 C8 109.1(7) . . ?
O8 C7 C8 107.0(8) . . ?
F16 C8 F17 108.5(9) . . ?
F16 C8 F18 110.1(9) . . ?
F17 C8 F18 109.2(10) . . ?
F16 C8 C7 108.6(10) . . ?
F17 C8 C7 109.2(8) . . ?
F18 C8 C7 111.2(9) . . ?

_refine_diff_density_max         1.959
_refine_diff_density_min         -1.853
_refine_diff_density_rms         0.228


_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_EUFLUNA
_database_code_depnum_ccdc_archive 'CCDC 2264980'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Starynowicz'
;Uniwersytet Wroclawski, Wydzial Chemii
Poland
;
_audit_update_record             
;
2023-07-14 deposited with the CCDC.	2023-07-19 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            'C16 H14 Eu F36 Na O23 S4'
_chemical_formula_weight         1561.46

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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/c'
_space_group_name_Hall           '-P 2ybc'

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

_cell_length_a                   17.953(4)
_cell_length_b                   24.722(6)
_cell_length_c                   10.768(3)
_cell_angle_alpha                90
_cell_angle_beta                 103.58(3)
_cell_angle_gamma                90
_cell_volume                     4646(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100.00(10)
_cell_measurement_reflns_used    18102
_cell_measurement_theta_min      2.0500
_cell_measurement_theta_max      35.1250

_exptl_crystal_description       'irregular plate'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.233
_exptl_crystal_F_000             3024
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.099
_exptl_crystal_size_min          0.025
_exptl_absorpt_coefficient_mu    1.760
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.831
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.50a (Rigaku Oxford Diffraction, 2022)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100.00(10)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_number            67942
_diffrn_reflns_av_unetI/netI     0.0769
_diffrn_reflns_av_R_equivalents  0.1021
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.019
_diffrn_reflns_theta_max         30.081
_diffrn_reflns_theta_full        27.500
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             13646
_reflns_number_gt                9704
_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.
;

_computing_data_collection       'CrysAlisPro 1.171.42.50a (Rigaku OD, 2022)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.50a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.50a (Rigaku OD, 2022)'
_computing_structure_solution    SHELXS
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond version 4.6.8'
_computing_publication_material  'publCIF (version 1.9.21_c)'
_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)+(0.0730P)²+10.4835P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13646
_refine_ls_number_parameters     730
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0853
_refine_ls_R_factor_gt           0.0515
_refine_ls_wR_factor_ref         0.1391
_refine_ls_wR_factor_gt          0.1242
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.018
_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
Eu Eu 0.42218(2) 0.14206(2) 0.29013(2) 0.00898(7) Uani 1 1 d . . . . .
S1 S 0.35404(7) 0.03589(5) 0.47792(10) 0.0134(2) Uani 1 1 d . . . . .
S2 S 0.50756(6) 0.27820(4) 0.28383(10) 0.0110(2) Uani 1 1 d . . . . .
S3 S 0.28659(7) 0.17099(4) 0.80154(10) 0.0124(2) Uani 1 1 d . . . . .
S4 S 0.39898(7) 0.54005(4) 1.46985(10) 0.0120(2) Uani 1 1 d . . . . .
Na Na 0.43131(11) 0.41742(7) 1.29405(17) 0.0156(4) Uani 1 1 d . . . . .
F11 F 0.2061(2) 0.04383(17) 0.4386(4) 0.0432(10) Uani 1 1 d . . . . .
F12 F 0.2536(2) -0.03382(16) 0.5137(3) 0.0414(10) Uani 1 1 d . . . . .
F13 F 0.2322(2) 0.01977(18) 0.2063(3) 0.0484(11) Uani 1 1 d . . . . .
F14 F 0.2871(2) -0.05440(17) 0.2812(4) 0.0425(10) Uani 1 1 d . . . . .
F15 F 0.0885(3) -0.0114(2) 0.1008(5) 0.0708(16) Uani 1 1 d . . . . .
F16 F 0.1615(2) -0.0798(2) 0.0914(4) 0.0529(12) Uani 1 1 d . . . . .
F17 F 0.0853(3) -0.13754(18) 0.2407(5) 0.0594(13) Uani 1 1 d . . . . .
F18 F 0.0129(2) -0.0698(2) 0.2499(5) 0.0557(12) Uani 1 1 d . . . . .
F19 F 0.0137(3) -0.1081(2) 0.0686(4) 0.0728(16) Uani 1 1 d . . . . .
F21 F 0.63563(18) 0.33012(12) 0.3164(3) 0.0242(7) Uani 1 1 d . . . . .
F22 F 0.61086(18) 0.29693(13) 0.4911(3) 0.0237(7) Uani 1 1 d . . . . .
F23 F 0.6391(2) 0.19549(14) 0.4183(5) 0.0474(11) Uani 1 1 d . . . . .
F24 F 0.6607(2) 0.22560(18) 0.2430(4) 0.0503(12) Uani 1 1 d . . . . .
F25 F 0.7894(3) 0.1771(2) 0.3984(8) 0.107(3) Uani 1 1 d . . . . .
F26 F 0.7798(4) 0.1977(4) 0.5850(8) 0.135(4) Uani 1 1 d . . . . .
F27 F 0.8791(3) 0.2663(3) 0.3962(9) 0.123(3) Uani 1 1 d . . . . .
F28 F 0.8683(3) 0.2881(3) 0.5731(8) 0.126(3) Uani 1 1 d . . . . .
F29 F 0.9216(3) 0.2138(3) 0.5492(8) 0.118(3) Uani 1 1 d . . . . .
F31 F 0.1733(3) 0.1107(2) 0.6921(7) 0.097(2) Uani 1 1 d . . . . .
F32 F 0.1640(3) 0.1459(3) 0.8740(7) 0.106(3) Uani 1 1 d . . . . .
F33 F 0.0569(2) 0.1817(2) 0.6897(8) 0.104(3) Uani 1 1 d . . . . .
F34 F 0.1382(4) 0.1980(2) 0.5672(5) 0.101(3) Uani 1 1 d . . . . .
F35 F 0.0388(3) 0.2846(2) 0.7709(6) 0.0700(15) Uani 1 1 d . . . . .
F36 F 0.0561(3) 0.28773(19) 0.5816(5) 0.0696(16) Uani 1 1 d . . . . .
F37 F 0.0831(3) 0.3825(2) 0.7070(6) 0.0809(19) Uani 1 1 d . . . . .
F38 F 0.1834(3) 0.3480(2) 0.6645(8) 0.093(2) Uani 1 1 d . . . . .
F39 F 0.1688(4) 0.3436(3) 0.8570(6) 0.095(2) Uani 1 1 d . . . . .
F41 F 0.32583(18) 0.59789(13) 1.2796(3) 0.0293(7) Uani 1 1 d . . . . .
F42 F 0.28718(18) 0.60835(13) 1.4556(3) 0.0298(8) Uani 1 1 d . . . . .
F43 F 0.26333(19) 0.49448(13) 1.2571(3) 0.0277(7) Uani 1 1 d . . . . .
F44 F 0.22197(19) 0.50739(15) 1.4263(3) 0.0325(8) Uani 1 1 d . . . . .
F45 F 0.1091(2) 0.49276(16) 1.1797(4) 0.0501(11) Uani 1 1 d . . . . .
F46 F 0.0752(2) 0.5429(2) 1.3205(4) 0.0593(13) Uani 1 1 d . . . . .
F47 F -0.0080(2) 0.5605(2) 1.0831(4) 0.0592(13) Uani 1 1 d . . . . .
F48 F 0.0610(3) 0.62895(19) 1.1608(6) 0.0662(15) Uani 1 1 d . . . . .
F49 F 0.0951(3) 0.5807(2) 1.0197(4) 0.0664(15) Uani 1 1 d . . . . .
O11 O 0.3608(2) 0.06704(14) 0.3660(3) 0.0197(7) Uani 1 1 d . . . . .
O12 O 0.3519(2) 0.06864(15) 0.5871(3) 0.0216(8) Uani 1 1 d . . . . .
O13 O 0.4056(2) -0.00942(15) 0.5005(4) 0.0275(9) Uani 1 1 d . . . . .
O14 O 0.1642(2) -0.04263(17) 0.2824(4) 0.0267(8) Uani 1 1 d . . . . .
O21 O 0.48216(19) 0.23022(12) 0.3417(3) 0.0121(6) Uani 1 1 d . . . . .
O22 O 0.4736(2) 0.32753(13) 0.3122(3) 0.0199(7) Uani 1 1 d . . . . .
O23 O 0.5093(2) 0.27075(13) 0.1508(3) 0.0155(7) Uani 1 1 d . . . . .
O24 O 0.7338(2) 0.25470(17) 0.4270(4) 0.0295(9) Uani 1 1 d . . . . .
O31 O 0.32307(19) 0.12079(13) 0.8522(3) 0.0153(7) Uani 1 1 d . . . . .
O32 O 0.2946(2) 0.21337(13) 0.8970(3) 0.0189(7) Uani 1 1 d . . . . .
O33 O 0.3017(2) 0.18823(14) 0.6821(3) 0.0226(8) Uani 1 1 d . . . . .
O34 O 0.1447(2) 0.24643(18) 0.7357(5) 0.0350(10) Uani 1 1 d . . . . .
O41 O 0.4511(2) 0.58539(13) 1.5078(3) 0.0156(7) Uani 1 1 d . . . . .
O42 O 0.4215(2) 0.50408(14) 1.3791(3) 0.0187(7) Uani 1 1 d . . . . .
O43 O 0.3775(2) 0.51459(14) 1.5769(3) 0.0212(8) Uani 1 1 d . . . . .
O44 O 0.1829(2) 0.56379(16) 1.2595(4) 0.0245(8) Uani 1 1 d . . . . .
OW1 O 0.5052(2) 0.13792(13) 0.4990(3) 0.0155(7) Uani 1 1 d . . . . .
OW2 O 0.5099(2) 0.06765(14) 0.2904(3) 0.0202(7) Uani 1 1 d . . . . .
OW3 O 0.3448(2) 0.17982(14) 0.4243(3) 0.0197(7) Uani 1 1 d . . . . .
OW4 O 0.4876(2) 0.16157(14) 0.1254(3) 0.0196(7) Uani 1 1 d . . . . .
OW5 O 0.3522(2) 0.09274(13) 0.1099(3) 0.0180(7) Uani 1 1 d . . . . .
OW6 O 0.3370(2) 0.20474(14) 0.1579(3) 0.0183(7) Uani 1 1 d . . . . .
OW7 O 0.5323(2) 0.43835(14) 1.1907(3) 0.0194(7) Uani 1 1 d . . . . .
C11 C 0.2574(3) 0.0066(2) 0.4297(5) 0.0216(10) Uani 1 1 d . . . . .
C12 C 0.2353(3) -0.0190(2) 0.2952(5) 0.0269(12) Uani 1 1 d . . . . .
C13 C 0.1203(4) -0.0560(3) 0.1639(6) 0.0427(17) Uani 1 1 d . . . . .
C14 C 0.0553(4) -0.0928(3) 0.1803(7) 0.0419(16) Uani 1 1 d . . . . .
C21 C 0.6082(3) 0.28654(19) 0.3679(4) 0.0166(9) Uani 1 1 d . . . . .
C22 C 0.6620(3) 0.2383(2) 0.3634(6) 0.0266(12) Uani 1 1 d . . . . .
C23 C 0.7905(4) 0.2181(3) 0.4697(10) 0.065(3) Uani 1 1 d . . . . .
C24 C 0.8667(4) 0.2465(4) 0.5029(12) 0.069(3) Uani 1 1 d . . . . .
C31 C 0.1837(3) 0.1540(2) 0.7645(7) 0.0351(15) Uani 1 1 d . . . . .
C32 C 0.1283(4) 0.1979(3) 0.6903(10) 0.061(3) Uani 1 1 d . . . . .
C33 C 0.0931(4) 0.2888(3) 0.7072(8) 0.0458(18) Uani 1 1 d . . . . .
C34 C 0.1342(5) 0.3426(3) 0.7350(10) 0.058(2) Uani 1 1 d . . . . .
C41 C 0.3096(3) 0.57185(19) 1.3785(4) 0.0158(9) Uani 1 1 d . . . . .
C42 C 0.2424(3) 0.5328(2) 1.3298(5) 0.0206(10) Uani 1 1 d . . . . .
C43 C 0.1101(3) 0.5429(3) 1.2228(6) 0.0318(13) Uani 1 1 d . . . . .
C44 C 0.0629(4) 0.5793(3) 1.1177(7) 0.0438(17) 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
Eu OW5 2.385(3) . yes
Eu OW1 2.391(3) . yes
Eu OW4 2.395(3) . yes
Eu OW6 2.396(3) . yes
Eu O11 2.396(3) . yes
Eu OW3 2.415(3) . yes
Eu OW2 2.421(3) . yes
Eu O21 2.437(3) . yes
S1 O12 1.436(4) . ?
S1 O13 1.437(4) . ?
S1 O11 1.459(3) . ?
S1 C11 1.839(5) . ?
S2 O22 1.428(3) . ?
S2 O23 1.452(3) . ?
S2 O21 1.462(3) . ?
S2 C21 1.833(5) . ?
S3 O33 1.440(4) . ?
S3 O31 1.449(3) . ?
S3 O32 1.451(3) . ?
S3 C31 1.844(6) . ?
S4 O43 1.443(4) . ?
S4 O42 1.447(3) . ?
S4 O41 1.456(3) . ?
S4 C41 1.849(5) . ?
Na O22 2.342(4) 1_556 ?
Na O42 2.353(4) . ?
Na O12 2.371(4) 4_566 ?
Na O31 2.373(4) 4_566 ?
Na OW7 2.396(4) . ?
Na O41 2.627(4) 3_668 ?
F11 C11 1.321(7) . ?
F12 C11 1.361(6) . ?
F13 C12 1.346(7) . ?
F14 C12 1.312(7) . ?
F15 C13 1.348(9) . ?
F16 C13 1.332(9) . ?
F17 C14 1.332(9) . ?
F18 C14 1.315(8) . ?
F19 C14 1.313(8) . ?
F21 C21 1.356(6) . ?
F22 C21 1.341(5) . ?
F23 C22 1.324(7) . ?
F24 C22 1.329(7) . ?
F25 C23 1.270(11) . ?
F26 C23 1.395(13) . ?
F27 C24 1.315(13) . ?
F28 C24 1.272(12) . ?
F29 C24 1.283(9) . ?
F31 C31 1.312(8) . ?
F32 C31 1.323(10) . ?
F33 C32 1.341(10) . ?
F34 C32 1.378(12) . ?
F35 C33 1.321(9) . ?
F36 C33 1.360(9) . ?
F37 C34 1.333(9) . ?
F38 C34 1.301(11) . ?
F39 C34 1.315(11) . ?
F41 C41 1.334(6) . ?
F42 C41 1.350(6) . ?
F43 C42 1.338(6) . ?
F44 C42 1.337(6) . ?
F45 C43 1.321(7) . ?
F46 C43 1.345(8) . ?
F47 C44 1.324(8) . ?
F48 C44 1.316(9) . ?
F49 C44 1.318(9) . ?
O14 C13 1.373(7) . ?
O14 C12 1.382(7) . ?
O24 C23 1.360(8) . ?
O24 C22 1.370(6) . ?
O34 C32 1.303(9) . ?
O34 C33 1.385(8) . ?
O44 C43 1.374(7) . ?
O44 C42 1.387(6) . ?
C11 C12 1.543(7) . ?
C13 C14 1.523(10) . ?
C21 C22 1.543(8) . ?
C23 C24 1.503(11) . ?
C31 C32 1.559(9) . ?
C33 C34 1.515(11) . ?
C41 C42 1.538(7) . ?
C43 C44 1.535(9) . ?

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
OW5 Eu OW1 146.79(11) . . ?
OW5 Eu OW4 75.91(12) . . ?
OW1 Eu OW4 113.56(13) . . ?
OW5 Eu OW6 72.93(12) . . ?
OW1 Eu OW6 139.13(11) . . ?
OW4 Eu OW6 77.60(13) . . ?
OW5 Eu O11 71.66(11) . . ?
OW1 Eu O11 83.16(11) . . ?
OW4 Eu O11 138.84(12) . . ?
OW6 Eu O11 115.02(13) . . ?
OW5 Eu OW3 114.69(13) . . ?
OW1 Eu OW3 76.84(12) . . ?
OW4 Eu OW3 144.71(12) . . ?
OW6 Eu OW3 74.29(12) . . ?
O11 Eu OW3 73.76(12) . . ?
OW5 Eu OW2 80.25(12) . . ?
OW1 Eu OW2 72.84(11) . . ?
OW4 Eu OW2 73.87(12) . . ?
OW6 Eu OW2 144.69(12) . . ?
O11 Eu OW2 76.24(13) . . ?
OW3 Eu OW2 139.31(12) . . ?
OW5 Eu O21 139.72(10) . . ?
OW1 Eu O21 71.31(10) . . ?
OW4 Eu O21 73.81(11) . . ?
OW6 Eu O21 75.11(11) . . ?
O11 Eu O21 145.94(11) . . ?
OW3 Eu O21 78.66(12) . . ?
OW2 Eu O21 115.28(12) . . ?
O12 S1 O13 116.2(2) . . ?
O12 S1 O11 113.7(2) . . ?
O13 S1 O11 112.1(2) . . ?
O12 S1 C11 104.4(2) . . ?
O13 S1 C11 105.6(2) . . ?
O11 S1 C11 103.3(2) . . ?
O22 S2 O23 115.4(2) . . ?
O22 S2 O21 114.2(2) . . ?
O23 S2 O21 113.50(19) . . ?
O22 S2 C21 102.7(2) . . ?
O23 S2 C21 104.7(2) . . ?
O21 S2 C21 104.5(2) . . ?
O33 S3 O31 115.2(2) . . ?
O33 S3 O32 114.2(2) . . ?
O31 S3 O32 113.0(2) . . ?
O33 S3 C31 105.3(3) . . ?
O31 S3 C31 103.2(2) . . ?
O32 S3 C31 104.2(3) . . ?
O43 S4 O42 116.2(2) . . ?
O43 S4 O41 112.7(2) . . ?
O42 S4 O41 113.5(2) . . ?
O43 S4 C41 104.4(2) . . ?
O42 S4 C41 104.3(2) . . ?
O41 S4 C41 104.0(2) . . ?
O22 Na O42 152.13(15) 1_556 . ?
O22 Na O12 109.14(15) 1_556 4_566 ?
O42 Na O12 98.64(14) . 4_566 ?
O22 Na O31 82.50(13) 1_556 4_566 ?
O42 Na O31 96.85(14) . 4_566 ?
O12 Na O31 87.53(14) 4_566 4_566 ?
O22 Na OW7 88.75(14) 1_556 . ?
O42 Na OW7 96.78(14) . . ?
O12 Na OW7 83.41(13) 4_566 . ?
O31 Na OW7 164.62(14) 4_566 . ?
O22 Na O41 73.99(13) 1_556 3_668 ?
O42 Na O41 80.04(12) . 3_668 ?
O12 Na O41 163.39(15) 4_566 3_668 ?
O31 Na O41 109.08(13) 4_566 3_668 ?
OW7 Na O41 80.33(13) . 3_668 ?
S1 O11 Eu 145.5(2) . . ?
S1 O12 Na 136.6(2) . 4_565 ?
C13 O14 C12 120.6(5) . . ?
S2 O21 Eu 142.58(18) . . ?
S2 O22 Na 159.8(2) . 1_554 ?
C23 O24 C22 120.9(5) . . ?
S3 O31 Na 124.6(2) . 4_565 ?
C32 O34 C33 122.2(5) . . ?
S4 O41 Na 123.26(18) . 3_668 ?
S4 O42 Na 151.7(2) . . ?
C43 O44 C42 120.6(5) . . ?
F11 C11 F12 108.5(5) . . ?
F11 C11 C12 108.9(5) . . ?
F12 C11 C12 106.3(4) . . ?
F11 C11 S1 109.4(4) . . ?
F12 C11 S1 107.0(4) . . ?
C12 C11 S1 116.3(4) . . ?
F14 C12 F13 107.8(5) . . ?
F14 C12 O14 111.6(5) . . ?
F13 C12 O14 110.3(5) . . ?
F14 C12 C11 110.4(5) . . ?
F13 C12 C11 109.5(5) . . ?
O14 C12 C11 107.2(4) . . ?
F16 C13 F15 107.1(6) . . ?
F16 C13 O14 112.0(6) . . ?
F15 C13 O14 110.8(6) . . ?
F16 C13 C14 110.4(6) . . ?
F15 C13 C14 107.5(6) . . ?
O14 C13 C14 108.9(6) . . ?
F19 C14 F18 111.4(6) . . ?
F19 C14 F17 106.6(6) . . ?
F18 C14 F17 107.6(6) . . ?
F19 C14 C13 110.6(6) . . ?
F18 C14 C13 111.7(6) . . ?
F17 C14 C13 108.7(6) . . ?
F22 C21 F21 108.7(4) . . ?
F22 C21 C22 107.6(4) . . ?
F21 C21 C22 108.1(4) . . ?
F22 C21 S2 108.2(3) . . ?
F21 C21 S2 107.3(3) . . ?
C22 C21 S2 116.7(3) . . ?
F23 C22 F24 108.1(5) . . ?
F23 C22 O24 111.6(5) . . ?
F24 C22 O24 110.9(5) . . ?
F23 C22 C21 110.0(5) . . ?
F24 C22 C21 110.2(4) . . ?
O24 C22 C21 106.1(4) . . ?
F25 C23 O24 115.0(7) . . ?
F25 C23 F26 105.2(8) . . ?
O24 C23 F26 107.0(8) . . ?
F25 C23 C24 113.7(9) . . ?
O24 C23 C24 109.7(7) . . ?
F26 C23 C24 105.4(8) . . ?
F28 C24 F29 111.8(9) . . ?
F28 C24 F27 103.5(9) . . ?
F29 C24 F27 107.5(10) . . ?
F28 C24 C23 114.3(9) . . ?
F29 C24 C23 111.8(7) . . ?
F27 C24 C23 107.3(9) . . ?
F31 C31 F32 112.0(7) . . ?
F31 C31 C32 106.2(6) . . ?
F32 C31 C32 106.9(7) . . ?
F31 C31 S3 108.0(5) . . ?
F32 C31 S3 107.8(5) . . ?
C32 C31 S3 116.0(5) . . ?
O34 C32 F33 114.1(8) . . ?
O34 C32 F34 106.9(8) . . ?
F33 C32 F34 109.6(7) . . ?
O34 C32 C31 112.8(6) . . ?
F33 C32 C31 106.8(7) . . ?
F34 C32 C31 106.4(7) . . ?
F35 C33 F36 105.5(6) . . ?
F35 C33 O34 111.2(6) . . ?
F36 C33 O34 110.5(6) . . ?
F35 C33 C34 110.5(7) . . ?
F36 C33 C34 108.4(7) . . ?
O34 C33 C34 110.5(6) . . ?
F38 C34 F39 110.7(8) . . ?
F38 C34 F37 108.5(8) . . ?
F39 C34 F37 110.5(8) . . ?
F38 C34 C33 110.0(8) . . ?
F39 C34 C33 108.0(8) . . ?
F37 C34 C33 109.2(7) . . ?
F41 C41 F42 108.7(4) . . ?
F41 C41 C42 109.4(4) . . ?
F42 C41 C42 107.8(4) . . ?
F41 C41 S4 107.8(3) . . ?
F42 C41 S4 107.7(3) . . ?
C42 C41 S4 115.3(3) . . ?
F43 C42 F44 106.7(4) . . ?
F43 C42 O44 111.0(4) . . ?
F44 C42 O44 111.5(4) . . ?
F43 C42 C41 109.8(4) . . ?
F44 C42 C41 111.5(4) . . ?
O44 C42 C41 106.4(4) . . ?
F45 C43 F46 107.7(6) . . ?
F45 C43 O44 112.8(5) . . ?
F46 C43 O44 111.1(5) . . ?
F45 C43 C44 109.3(5) . . ?
F46 C43 C44 107.4(5) . . ?
O44 C43 C44 108.3(5) . . ?
F48 C44 F49 108.0(7) . . ?
F48 C44 F47 108.9(6) . . ?
F49 C44 F47 111.0(6) . . ?
F48 C44 C43 110.0(6) . . ?
F49 C44 C43 109.6(6) . . ?
F47 C44 C43 109.3(6) . . ?

_refine_diff_density_max         3.717
_refine_diff_density_min         -1.179
_refine_diff_density_rms         0.190
_vrf_PLAT971_EUFLUNA             
;
PROBLEM: Check Calcd Resid. Dens.  0.75Ang From Eu              3.57 eA-3  
RESPONSE: The crystal volume was small, the average ratio I/sigma(I)
is relatively small and consequently the spurious peaks are manifestation
of the experimental noise. 
;
_vrf_PLAT973_EUFLUNA             
;
PROBLEM: Check Calcd Positive Resid. Density on        Eu       2.05 eA-3  
RESPONSE: The crystal volume was small, the average ratio I/sigma(I)
is relatively small and consequently the spurious features are manifestation
of the experimental noise.
;
_vrf_PLAT196_EUFLUNA             
;
PROBLEM: No TEMP record and _measurement_temperature .NE.        293 Degree
RESPONSE: There are no H atoms included in the refinement; the temperature
is given elsewhere.
;


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: water/1-propanol mixture'
####################################################################### 
# 
# 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_euf3mo
_database_code_depnum_ccdc_archive 'CCDC 2264979'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Starynowicz'
;Uniwersytet Wroclawski, Wydzial Chemii
Poland
;
_audit_update_record             
;
2023-07-14 deposited with the CCDC.	2023-07-19 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            'C12 H12 Eu F27 O18 S3'
_chemical_formula_weight         1205.36

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'
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/c'
_space_group_name_Hall           '-P 2ybc'

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

_cell_length_a                   16.934(6)
_cell_length_b                   12.916(4)
_cell_length_c                   32.216(16)
_cell_angle_alpha                90
_cell_angle_beta                 96.17(6)
_cell_angle_gamma                90
_cell_volume                     7005(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    100.00(10)
_cell_measurement_reflns_used    66215
_cell_measurement_theta_min      1.8410
_cell_measurement_theta_max      48.3780

_exptl_crystal_description       colourless
_exptl_crystal_colour            'irregular plate'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.286
_exptl_crystal_F_000             4656
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.314
_exptl_crystal_size_mid          0.164
_exptl_crystal_size_min          0.051
_exptl_absorpt_coefficient_mu    2.183
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.92841
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.50a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100.00(10)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_number            84091
_diffrn_reflns_av_unetI/netI     0.0585
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -56
_diffrn_reflns_limit_l_max       65
_diffrn_reflns_theta_min         1.658
_diffrn_reflns_theta_max         48.420
_diffrn_reflns_theta_full        27.500
_diffrn_measured_fraction_theta_max 0.869
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.869
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.869
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             84091
_reflns_number_gt                51179
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _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       'CrysAlisPro 1.171.42.50a (Rigaku OD, 2022)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.50a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.50a (Rigaku OD, 2022)'
_computing_structure_solution    SHELXS
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond version 4.6.8'
_computing_publication_material  'publCIF (version 1.9.21_c)'
_refine_special_details          'Refined as a 2-component twin.,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)+(0.0826P)²+60.9735P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     vecmap
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         84091
_refine_ls_number_parameters     1096
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.1538
_refine_ls_R_factor_gt           0.0927
_refine_ls_wR_factor_ref         0.2479
_refine_ls_wR_factor_gt          0.2194
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.061
_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 0.61752(2) 0.21376(2) 0.00571(2) 0.02062(5) Uani 1 1 d . . . . .
Eu2 Eu 1.11404(2) 0.28555(2) -0.01081(2) 0.02038(5) Uani 1 1 d . . . . .
S1 S 0.68036(8) -0.02228(10) 0.06673(5) 0.0245(3) Uani 1 1 d . . . . .
S2 S 0.47123(8) 0.40275(11) -0.05188(5) 0.0258(3) Uani 1 1 d . . . . .
S3 S 0.43472(7) 0.17694(11) 0.06053(5) 0.0244(3) Uani 1 1 d . . . . .
S4 S 1.15217(7) 0.53115(10) -0.06581(5) 0.0229(2) Uani 1 1 d . . . . .
S5 S 0.99820(8) 0.09738(10) 0.05184(5) 0.0230(2) Uani 1 1 d . . . . .
S6 S 0.90805(7) 0.32378(10) -0.06429(5) 0.0237(2) Uani 1 1 d . . . . .
F11 F 0.5820(3) -0.0210(4) 0.12273(17) 0.0459(11) Uani 1 1 d . . . . .
F12 F 0.6540(3) 0.1195(4) 0.12054(18) 0.0504(12) Uani 1 1 d . . . . .
F13 F 0.7795(3) 0.0309(4) 0.15850(19) 0.0556(14) Uani 1 1 d . . . . .
F14 F 0.6778(4) 0.0012(6) 0.1915(2) 0.0724(19) Uani 1 1 d . . . . .
F21 F 0.4230(4) 0.2709(4) -0.10899(19) 0.0553(14) Uani 1 1 d . . . . .
F22 F 0.4066(4) 0.4344(5) -0.12571(19) 0.0611(15) Uani 1 1 d . . . . .
F23 F 0.5770(4) 0.2827(5) -0.11505(19) 0.0676(18) Uani 1 1 d . . . . .
F24 F 0.5728(4) 0.4459(5) -0.1239(2) 0.079(2) Uani 1 1 d . . . . .
F25 F 0.6209(5) 0.3276(9) -0.1957(3) 0.100(3) Uani 1 1 d . . . . .
F26 F 0.5515(10) 0.4695(8) -0.2091(4) 0.162(6) Uani 1 1 d . . . . .
F27 F 0.4326(7) 0.3582(10) -0.2493(3) 0.139(5) Uani 1 1 d . . . . .
F28 F 0.5028(6) 0.2212(9) -0.2395(3) 0.109(3) Uani 1 1 d . . . . .
F29 F 0.5447(8) 0.3476(10) -0.2746(3) 0.136(4) Uani 1 1 d . . . . .
F31 F 0.5016(3) 0.1971(4) 0.13644(17) 0.0482(12) Uani 1 1 d . . . . .
F32 F 0.4418(3) 0.3341(3) 0.10983(16) 0.0450(11) Uani 1 1 d . . . . .
F33 F 0.3723(3) 0.2584(4) 0.17317(16) 0.0497(12) Uani 1 1 d . . . . .
F34 F 0.2985(3) 0.2416(5) 0.11558(19) 0.0583(15) Uani 1 1 d . . . . .
F35 F 0.2550(6) 0.1094(7) 0.1780(3) 0.112(4) Uani 1 1 d . . . . .
F36 F 0.2491(6) 0.0164(12) 0.1195(3) 0.153(5) Uani 1 1 d . . . . .
F37 F 0.3717(13) -0.021(2) 0.2067(4) 0.312(17) Uani 1 1 d . . . . .
F38 F 0.3534(9) -0.1050(6) 0.1471(3) 0.141(5) Uani 1 1 d . . . . .
F39 F 0.2529(10) -0.0959(8) 0.1824(3) 0.175(7) Uani 1 1 d . . . . .
F41 F 1.1125(3) 0.4479(4) -0.13831(15) 0.0418(10) Uani 1 1 d . . . . .
F42 F 1.0287(2) 0.5592(4) -0.11806(15) 0.0396(10) Uani 1 1 d . . . . .
F43 F 1.1494(4) 0.7133(4) -0.1260(2) 0.0536(14) Uani 1 1 d . . . . .
F44 F 1.0846(4) 0.6444(6) -0.18000(19) 0.0672(18) Uani 1 1 d . . . . .
F45 F 1.2315(4) 0.7450(5) -0.1903(2) 0.0656(17) Uani 1 1 d . . . . .
F46 F 1.2008(5) 0.6136(7) -0.2300(2) 0.085(2) Uani 1 1 d . . . . .
F47 F 1.3330(4) 0.5143(5) -0.1991(2) 0.0657(17) Uani 1 1 d . . . . .
F48 F 1.3633(4) 0.6408(6) -0.1559(3) 0.080(2) Uani 1 1 d . . . . .
F49 F 1.3560(5) 0.6660(8) -0.2227(3) 0.104(3) Uani 1 1 d . . . . .
F51 F 1.1071(3) 0.1438(5) 0.11156(17) 0.0530(13) Uani 1 1 d . . . . .
F52 F 1.0012(3) 0.2373(3) 0.10908(16) 0.0424(10) Uani 1 1 d . . . . .
F53 F 0.9248(4) 0.0467(6) 0.12993(18) 0.073(2) Uani 1 1 d . . . . .
F54 F 1.0424(6) -0.0131(5) 0.1432(2) 0.090(3) Uani 1 1 d . . . . .
F55 F 0.9660(6) -0.0064(6) 0.2125(2) 0.087(3) Uani 1 1 d . . . . .
F56 F 1.0876(5) 0.0449(7) 0.2255(2) 0.090(3) Uani 1 1 d . . . . .
F57 F 1.0003(5) 0.1032(6) 0.28446(18) 0.0725(19) Uani 1 1 d . . . . .
F58 F 1.0325(5) 0.2343(6) 0.2483(2) 0.081(2) Uani 1 1 d . . . . .
F59 F 0.9156(5) 0.1769(8) 0.2392(2) 0.093(3) Uani 1 1 d . . . . .
F61 F 0.8906(4) 0.1859(4) -0.12170(18) 0.0624(16) Uani 1 1 d . . . . .
F62 F 0.9695(4) 0.3110(5) -0.13459(19) 0.0579(15) Uani 1 1 d . . . . .
F63 F 0.7642(3) 0.3240(5) -0.1316(2) 0.0668(18) Uani 1 1 d . . . . .
F64 F 0.8260(6) 0.2904(4) -0.1853(2) 0.079(2) Uani 1 1 d . . . . .
F65 F 0.7347(4) 0.5209(6) -0.1510(3) 0.094(3) Uani 1 1 d . . . . .
F66 F 0.7689(5) 0.4714(6) -0.2101(3) 0.096(3) Uani 1 1 d . . . . .
F67 F 0.7879(4) 0.6767(5) -0.1976(2) 0.0644(16) Uani 1 1 d . . . . .
F68 F 0.8992(4) 0.5978(6) -0.1973(3) 0.094(3) Uani 1 1 d . . . . .
F69 F 0.8592(5) 0.6455(5) -0.1401(3) 0.084(2) Uani 1 1 d . . . . .
O11 O 0.6306(2) 0.0496(3) 0.04065(17) 0.0308(10) Uani 1 1 d . . . . .
O12 O 0.6562(2) -0.1276(3) 0.06013(16) 0.0296(9) Uani 1 1 d . . . . .
O13 O 0.7647(2) -0.0030(3) 0.06713(17) 0.0311(10) Uani 1 1 d . . . . .
O14 O 0.7222(4) -0.1262(5) 0.1526(2) 0.0460(13) Uani 1 1 d . . . . .
O21 O 0.5311(2) 0.3335(3) -0.03225(16) 0.0289(9) Uani 1 1 d . . . . .
O22 O 0.3937(3) 0.3876(4) -0.03796(18) 0.0385(11) Uani 1 1 d . . . . .
O23 O 0.4968(2) 0.5090(3) -0.05282(15) 0.0295(10) Uani 1 1 d . . . . .
O24 O 0.5040(4) 0.3435(7) -0.1714(2) 0.0584(18) Uani 1 1 d . . . . .
O31 O 0.5098(2) 0.2152(3) 0.04831(17) 0.0301(9) Uani 1 1 d . . . . .
O32 O 0.4310(3) 0.0652(3) 0.06564(17) 0.0324(10) Uani 1 1 d . . . . .
O33 O 0.3665(3) 0.2233(4) 0.03769(18) 0.0341(10) Uani 1 1 d . . . . .
O34 O 0.3643(5) 0.1031(5) 0.1443(2) 0.0545(17) Uani 1 1 d . . . . .
O41 O 1.1090(2) 0.4447(3) -0.05005(15) 0.0259(8) Uani 1 1 d . . . . .
O42 O 1.2357(2) 0.5113(3) -0.06845(17) 0.0297(9) Uani 1 1 d . . . . .
O43 O 1.1342(2) 0.6285(3) -0.04628(17) 0.0291(9) Uani 1 1 d . . . . .
O44 O 1.2085(3) 0.5913(4) -0.16026(18) 0.0393(11) Uani 1 1 d . . . . .
O51 O 1.0463(2) 0.1624(3) 0.02746(15) 0.0266(8) Uani 1 1 d . . . . .
O52 O 1.0213(2) -0.0105(3) 0.05271(16) 0.0271(8) Uani 1 1 d . . . . .
O53 O 0.9146(2) 0.1157(4) 0.04417(17) 0.0333(10) Uani 1 1 d . . . . .
O54 O 1.0081(4) 0.1265(5) 0.17650(17) 0.0423(13) Uani 1 1 d . . . . .
O61 O 0.9856(2) 0.2817(3) -0.04939(17) 0.0311(10) Uani 1 1 d . . . . .
O62 O 0.9045(3) 0.4351(3) -0.06373(17) 0.0309(9) Uani 1 1 d . . . . .
O63 O 0.8434(3) 0.2712(4) -0.04811(18) 0.0346(11) Uani 1 1 d . . . . .
O64 O 0.8496(3) 0.4398(4) -0.15262(17) 0.0374(11) Uani 1 1 d . . . . .
OW1 O 0.6317(2) 0.3549(3) 0.05363(15) 0.0266(8) Uani 1 1 d . . . . .
OW2 O 0.7528(2) 0.2022(3) 0.03787(16) 0.0272(9) Uani 1 1 d . . . . .
OW3 O 0.6971(2) 0.3312(3) -0.02878(17) 0.0319(10) Uani 1 1 d . . . . .
OW4 O 0.5128(2) 0.1134(3) -0.03271(17) 0.0321(10) Uani 1 1 d . . . . .
OW5 O 0.6751(3) 0.1090(4) -0.04419(17) 0.0325(10) Uani 1 1 d . . . . .
OW6 O 1.2354(2) 0.2980(3) -0.04467(17) 0.0298(10) Uani 1 1 d . . . . .
OW7 O 1.2096(2) 0.1701(4) 0.02344(17) 0.0324(10) Uani 1 1 d . . . . .
OW8 O 1.1907(2) 0.3947(4) 0.03801(17) 0.0339(10) Uani 1 1 d . . . . .
OW9 O 1.0275(2) 0.3871(3) 0.02824(17) 0.0310(9) Uani 1 1 d . . . . .
OW10 O 1.1088(2) 0.1441(3) -0.05844(15) 0.0259(8) Uani 1 1 d . . . . .
OW11 O 1.3378(3) 0.4627(4) 0.0341(2) 0.0379(11) Uani 1 1 d . . . . .
OW12 O 0.8247(3) 0.0359(3) -0.02950(18) 0.0338(10) Uani 1 1 d . . . . .
C11 C 0.6550(4) 0.0154(6) 0.1186(3) 0.0379(15) Uani 1 1 d . . . . .
C12 C 0.7117(5) -0.0216(7) 0.1570(3) 0.0452(18) Uani 1 1 d . . . . .
C13 C 0.7494(10) -0.1795(15) 0.1875(6) 0.049(4) Uiso 0.507(14) 1 d D . P A 1
C14 C 0.7924(7) -0.2743(11) 0.1710(3) 0.053(5) Uiso 0.507(14) 1 d D . P A 1
F15 F 0.8102(8) -0.1264(11) 0.2109(4) 0.054(4) Uiso 0.507(14) 1 d D . P A 1
F16 F 0.6897(10) -0.2139(14) 0.2083(5) 0.084(5) Uiso 0.507(14) 1 d . . P A 1
F17 F 0.7481(7) -0.3276(9) 0.1426(4) 0.039(3) Uiso 0.507(14) 1 d D . P A 1
F18 F 0.8159(8) -0.3425(10) 0.2000(4) 0.051(3) Uiso 0.507(14) 1 d D . P A 1
F19 F 0.8559(7) -0.2408(11) 0.1550(4) 0.057(3) Uiso 0.507(14) 1 d D . P A 1
C130 C 0.7853(12) -0.1814(14) 0.1765(5) 0.043(4) Uiso 0.493(14) 1 d D . P A 2
C140 C 0.7564(7) -0.2885(12) 0.1842(4) 0.043(4) Uiso 0.493(14) 1 d D . P A 2
F150 F 0.7902(10) -0.1377(12) 0.2161(4) 0.055(4) Uiso 0.493(14) 1 d D . P A 2
F160 F 0.8493(8) -0.1815(13) 0.1569(4) 0.063(4) Uiso 0.493(14) 1 d . . P A 2
F170 F 0.7363(11) -0.3398(14) 0.1494(4) 0.069(5) Uiso 0.493(14) 1 d D . P A 2
F180 F 0.8085(10) -0.3363(13) 0.2107(5) 0.069(5) Uiso 0.493(14) 1 d D . P A 2
F190 F 0.6893(8) -0.2897(13) 0.2012(5) 0.073(4) Uiso 0.493(14) 1 d D . P A 2
C21 C 0.4575(4) 0.3643(5) -0.1058(2) 0.0340(13) Uani 1 1 d . . . . .
C22 C 0.5299(5) 0.3607(7) -0.1301(3) 0.0433(17) Uani 1 1 d . . . . .
C23 C 0.5478(9) 0.3619(17) -0.2024(4) 0.098(6) Uani 1 1 d . . . . .
C24 C 0.5057(11) 0.3273(17) -0.2434(4) 0.103(7) Uani 1 1 d . . . . .
C31 C 0.4363(4) 0.2310(4) 0.1130(2) 0.0291(12) Uani 1 1 d . . . . .
C32 C 0.3654(5) 0.2070(6) 0.1376(2) 0.0348(14) Uani 1 1 d . . . . .
C33 C 0.3021(7) 0.0549(9) 0.1585(4) 0.068(3) Uani 1 1 d . . . . .
C34 C 0.3228(17) -0.0508(10) 0.1721(7) 0.157(12) Uani 1 1 d . . . . .
C41 C 1.1061(4) 0.5394(5) -0.1202(2) 0.0298(11) Uani 1 1 d . . . . .
C42 C 1.1383(5) 0.6249(6) -0.1477(3) 0.0393(16) Uani 1 1 d . . . . .
C43 C 1.2378(6) 0.6439(8) -0.1933(3) 0.051(2) Uani 1 1 d . . . . .
C44 C 1.3254(6) 0.6161(9) -0.1930(4) 0.058(3) Uani 1 1 d . . . . .
C51 C 1.0280(4) 0.1423(5) 0.1054(2) 0.0302(12) Uani 1 1 d . . . . .
C52 C 0.9996(5) 0.0742(6) 0.1403(3) 0.0418(16) Uani 1 1 d . . . . .
C53 C 1.0137(7) 0.0747(8) 0.2138(3) 0.052(2) Uani 1 1 d . . . . .
C54 C 0.9898(7) 0.1488(10) 0.2474(3) 0.057(2) Uani 1 1 d . . . . .
C61 C 0.9009(5) 0.2886(5) -0.1196(2) 0.0363(14) Uani 1 1 d . . . . .
C62 C 0.8324(6) 0.3378(6) -0.1484(3) 0.0458(19) Uani 1 1 d . . . . .
C63 C 0.7959(5) 0.5062(7) -0.1730(3) 0.0472(19) Uani 1 1 d . . . . .
C64 C 0.8373(5) 0.6095(7) -0.1773(3) 0.0467(19) 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 O21 2.375(4) . yes
Eu1 OW3 2.383(4) . yes
Eu1 OW1 2.384(4) . yes
Eu1 OW5 2.389(5) . yes
Eu1 O31 2.397(4) . yes
Eu1 O11 2.399(4) . yes
Eu1 OW2 2.415(4) . yes
Eu1 OW4 2.425(4) . yes
Eu2 OW10 2.381(4) . yes
Eu2 O51 2.381(4) . yes
Eu2 OW7 2.383(4) . yes
Eu2 O61 2.386(5) . yes
Eu2 OW8 2.389(5) . yes
Eu2 O41 2.409(4) . yes
Eu2 OW9 2.418(4) . yes
Eu2 OW6 2.433(4) . yes
S1 O12 1.430(4) . ?
S1 O13 1.448(4) . ?
S1 O11 1.459(4) . ?
S1 C11 1.836(8) . ?
S2 O23 1.440(4) . ?
S2 O22 1.445(5) . ?
S2 O21 1.446(4) . ?
S2 C21 1.797(8) . ?
S3 O33 1.433(5) . ?
S3 O32 1.455(5) . ?
S3 O31 1.458(4) . ?
S3 C31 1.826(7) . ?
S4 O42 1.448(4) . ?
S4 O43 1.454(5) . ?
S4 O41 1.456(4) . ?
S4 C41 1.842(7) . ?
S5 O53 1.431(4) . ?
S5 O52 1.446(4) . ?
S5 O51 1.457(4) . ?
S5 C51 1.838(7) . ?
S6 O63 1.433(5) . ?
S6 O62 1.439(4) . ?
S6 O61 1.455(4) . ?
S6 C61 1.829(8) . ?
F11 C11 1.342(8) . ?
F12 C11 1.345(9) . ?
F13 C12 1.330(10) . ?
F14 C12 1.338(11) . ?
F21 C21 1.339(8) . ?
F22 C21 1.362(9) . ?
F23 C22 1.343(11) . ?
F24 C22 1.322(10) . ?
F25 C23 1.311(17) . ?
F26 C23 1.41(2) . ?
F27 C24 1.296(18) . ?
F28 C24 1.38(2) . ?
F29 C24 1.289(18) . ?
F31 C31 1.343(8) . ?
F32 C31 1.340(7) . ?
F33 C32 1.318(9) . ?
F34 C32 1.347(10) . ?
F35 C33 1.279(14) . ?
F36 C33 1.544(17) . ?
F37 C34 1.37(3) . ?
F38 C34 1.223(17) . ?
F39 C34 1.39(2) . ?
F41 C41 1.329(8) . ?
F42 C41 1.343(7) . ?
F43 C42 1.343(10) . ?
F44 C42 1.330(10) . ?
F45 C43 1.315(12) . ?
F46 C43 1.335(13) . ?
F47 C44 1.338(13) . ?
F48 C44 1.333(13) . ?
F49 C44 1.305(12) . ?
F51 C51 1.334(7) . ?
F52 C51 1.318(8) . ?
F53 C52 1.323(10) . ?
F54 C52 1.337(10) . ?
F55 C53 1.320(12) . ?
F56 C53 1.324(13) . ?
F57 C54 1.326(12) . ?
F58 C54 1.319(14) . ?
F59 C54 1.306(13) . ?
F61 C61 1.338(9) . ?
F62 C61 1.337(10) . ?
F63 C62 1.340(11) . ?
F64 C62 1.332(10) . ?
F65 C63 1.331(12) . ?
F66 C63 1.311(12) . ?
F67 C64 1.327(10) . ?
F68 C64 1.296(11) . ?
F69 C64 1.303(12) . ?
O14 C13 1.355(19) . ?
O14 C12 1.373(11) . ?
O14 C130 1.437(19) . ?
O24 C23 1.327(15) . ?
O24 C22 1.372(11) . ?
O34 C33 1.347(12) . ?
O34 C32 1.359(9) . ?
O44 C42 1.366(9) . ?
O44 C43 1.398(10) . ?
O54 C52 1.342(10) . ?
O54 C53 1.371(11) . ?
O64 C62 1.360(9) . ?
O64 C63 1.366(10) . ?
C11 C12 1.557(12) . ?
C13 F16 1.35(2) . ?
C13 F15 1.391(12) . ?
C13 C14 1.55(3) . ?
C14 F18 1.314(6) . ?
C14 F19 1.314(6) . ?
C14 F17 1.314(6) . ?
C130 F160 1.31(2) . ?
C130 F150 1.391(12) . ?
C130 C140 1.50(2) . ?
C140 F170 1.314(6) . ?
C140 F180 1.314(6) . ?
C140 F190 1.314(6) . ?
C21 C22 1.527(11) . ?
C23 C24 1.50(2) . ?
C31 C32 1.542(10) . ?
C33 C34 1.46(2) . ?
C41 C42 1.552(10) . ?
C43 C44 1.524(14) . ?
C51 C52 1.544(11) . ?
C53 C54 1.531(14) . ?
C61 C62 1.542(12) . ?
C63 C64 1.520(12) . ?

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
O21 Eu1 OW3 72.15(15) . . ?
O21 Eu1 OW1 81.33(17) . . ?
OW3 Eu1 OW1 78.03(17) . . ?
O21 Eu1 OW5 107.20(18) . . ?
OW3 Eu1 OW5 75.77(17) . . ?
OW1 Eu1 OW5 148.10(15) . . ?
O21 Eu1 O31 79.94(17) . . ?
OW3 Eu1 O31 139.95(15) . . ?
OW1 Eu1 O31 69.71(15) . . ?
OW5 Eu1 O31 141.32(16) . . ?
O21 Eu1 O11 146.86(14) . . ?
OW3 Eu1 O11 138.86(14) . . ?
OW1 Eu1 O11 111.96(17) . . ?
OW5 Eu1 O11 77.96(18) . . ?
O31 Eu1 O11 77.05(16) . . ?
O21 Eu1 OW2 139.86(14) . . ?
OW3 Eu1 OW2 71.42(16) . . ?
OW1 Eu1 OW2 75.21(15) . . ?
OW5 Eu1 OW2 79.42(17) . . ?
O31 Eu1 OW2 119.98(18) . . ?
O11 Eu1 OW2 73.05(14) . . ?
O21 Eu1 OW4 73.09(16) . . ?
OW3 Eu1 OW4 121.43(19) . . ?
OW1 Eu1 OW4 139.12(15) . . ?
OW5 Eu1 OW4 71.52(16) . . ?
O31 Eu1 OW4 74.75(17) . . ?
O11 Eu1 OW4 78.05(16) . . ?
OW2 Eu1 OW4 142.50(14) . . ?
OW10 Eu2 O51 80.48(15) . . ?
OW10 Eu2 OW7 78.16(17) . . ?
O51 Eu2 OW7 71.55(15) . . ?
OW10 Eu2 O61 71.30(16) . . ?
O51 Eu2 O61 78.04(17) . . ?
OW7 Eu2 O61 139.79(15) . . ?
OW10 Eu2 OW8 148.99(15) . . ?
O51 Eu2 OW8 108.13(18) . . ?
OW7 Eu2 OW8 76.74(18) . . ?
O61 Eu2 OW8 139.06(16) . . ?
OW10 Eu2 O41 108.63(16) . . ?
O51 Eu2 O41 148.14(14) . . ?
OW7 Eu2 O41 139.54(14) . . ?
O61 Eu2 O41 76.44(15) . . ?
OW8 Eu2 O41 80.11(17) . . ?
OW10 Eu2 OW9 140.25(14) . . ?
O51 Eu2 OW9 74.95(15) . . ?
OW7 Eu2 OW9 121.21(19) . . ?
O61 Eu2 OW9 73.34(17) . . ?
OW8 Eu2 OW9 69.74(16) . . ?
O41 Eu2 OW9 79.67(16) . . ?
OW10 Eu2 OW6 74.73(15) . . ?
O51 Eu2 OW6 138.90(14) . . ?
OW7 Eu2 OW6 71.62(16) . . ?
O61 Eu2 OW6 122.27(18) . . ?
OW8 Eu2 OW6 80.27(17) . . ?
O41 Eu2 OW6 72.09(14) . . ?
OW9 Eu2 OW6 141.76(14) . . ?
O12 S1 O13 115.5(3) . . ?
O12 S1 O11 112.5(3) . . ?
O13 S1 O11 113.8(3) . . ?
O12 S1 C11 107.3(3) . . ?
O13 S1 C11 105.9(3) . . ?
O11 S1 C11 100.3(3) . . ?
O23 S2 O22 114.9(3) . . ?
O23 S2 O21 113.6(3) . . ?
O22 S2 O21 113.5(3) . . ?
O23 S2 C21 104.5(3) . . ?
O22 S2 C21 103.6(3) . . ?
O21 S2 C21 105.3(3) . . ?
O33 S3 O32 115.5(3) . . ?
O33 S3 O31 113.5(3) . . ?
O32 S3 O31 114.6(3) . . ?
O33 S3 C31 104.3(3) . . ?
O32 S3 C31 105.7(3) . . ?
O31 S3 C31 101.2(3) . . ?
O42 S4 O43 115.5(3) . . ?
O42 S4 O41 114.5(3) . . ?
O43 S4 O41 112.1(3) . . ?
O42 S4 C41 105.7(3) . . ?
O43 S4 C41 105.9(3) . . ?
O41 S4 C41 101.5(3) . . ?
O53 S5 O52 115.0(3) . . ?
O53 S5 O51 114.3(3) . . ?
O52 S5 O51 113.6(3) . . ?
O53 S5 C51 106.1(3) . . ?
O52 S5 C51 103.8(3) . . ?
O51 S5 C51 102.2(3) . . ?
O63 S6 O62 115.7(3) . . ?
O63 S6 O61 113.6(3) . . ?
O62 S6 O61 114.0(3) . . ?
O63 S6 C61 105.2(4) . . ?
O62 S6 C61 105.2(3) . . ?
O61 S6 C61 101.1(3) . . ?
S1 O11 Eu1 148.4(3) . . ?
C13 O14 C12 116.8(10) . . ?
C12 O14 C130 122.0(9) . . ?
S2 O21 Eu1 172.8(3) . . ?
C23 O24 C22 123.6(9) . . ?
S3 O31 Eu1 153.1(3) . . ?
C33 O34 C32 122.3(8) . . ?
S4 O41 Eu2 147.8(3) . . ?
C42 O44 C43 117.6(7) . . ?
S5 O51 Eu2 173.0(3) . . ?
C52 O54 C53 120.5(7) . . ?
S6 O61 Eu2 154.7(3) . . ?
C62 O64 C63 121.2(7) . . ?
F11 C11 F12 109.3(6) . . ?
F11 C11 C12 108.1(7) . . ?
F12 C11 C12 106.2(7) . . ?
F11 C11 S1 107.7(5) . . ?
F12 C11 S1 108.2(6) . . ?
C12 C11 S1 117.2(5) . . ?
F13 C12 F14 107.7(8) . . ?
F13 C12 O14 112.6(8) . . ?
F14 C12 O14 112.0(8) . . ?
F13 C12 C11 109.2(7) . . ?
F14 C12 C11 108.0(7) . . ?
O14 C12 C11 107.2(7) . . ?
F16 C13 O14 112.0(15) . . ?
F16 C13 F15 116.3(17) . . ?
O14 C13 F15 111.4(14) . . ?
F16 C13 C14 108.4(15) . . ?
O14 C13 C14 104.3(13) . . ?
F15 C13 C14 103.2(14) . . ?
F18 C14 F19 107.5(13) . . ?
F18 C14 F17 104.5(13) . . ?
F19 C14 F17 109.2(12) . . ?
F18 C14 C13 113.8(13) . . ?
F19 C14 C13 108.0(13) . . ?
F17 C14 C13 113.5(12) . . ?
F160 C130 F150 118.1(16) . . ?
F160 C130 O14 110.4(13) . . ?
F150 C130 O14 105.0(13) . . ?
F160 C130 C140 112.3(15) . . ?
F150 C130 C140 102.2(13) . . ?
O14 C130 C140 108.1(13) . . ?
F170 C140 F180 114.3(16) . . ?
F170 C140 F190 101.2(14) . . ?
F180 C140 F190 105.9(14) . . ?
F170 C140 C130 112.6(13) . . ?
F180 C140 C130 109.5(14) . . ?
F190 C140 C130 113.0(14) . . ?
F21 C21 F22 108.3(6) . . ?
F21 C21 C22 107.5(7) . . ?
F22 C21 C22 106.3(7) . . ?
F21 C21 S2 109.5(5) . . ?
F22 C21 S2 106.4(5) . . ?
C22 C21 S2 118.5(5) . . ?
F24 C22 F23 105.9(8) . . ?
F24 C22 O24 113.3(8) . . ?
F23 C22 O24 110.2(8) . . ?
F24 C22 C21 110.8(7) . . ?
F23 C22 C21 108.4(7) . . ?
O24 C22 C21 108.2(7) . . ?
F25 C23 O24 114.2(13) . . ?
F25 C23 F26 107.5(15) . . ?
O24 C23 F26 109.4(14) . . ?
F25 C23 C24 113.2(13) . . ?
O24 C23 C24 111.0(14) . . ?
F26 C23 C24 100.6(14) . . ?
F29 C24 F27 112.6(13) . . ?
F29 C24 F28 107.4(13) . . ?
F27 C24 F28 106.0(19) . . ?
F29 C24 C23 113.1(18) . . ?
F27 C24 C23 113.2(13) . . ?
F28 C24 C23 103.7(13) . . ?
F32 C31 F31 107.9(6) . . ?
F32 C31 C32 107.6(5) . . ?
F31 C31 C32 106.5(6) . . ?
F32 C31 S3 107.7(5) . . ?
F31 C31 S3 109.0(5) . . ?
C32 C31 S3 117.7(5) . . ?
F33 C32 F34 106.4(7) . . ?
F33 C32 O34 111.3(7) . . ?
F34 C32 O34 112.7(7) . . ?
F33 C32 C31 110.1(6) . . ?
F34 C32 C31 108.6(6) . . ?
O34 C32 C31 107.7(6) . . ?
F35 C33 O34 117.7(10) . . ?
F35 C33 C34 120.5(11) . . ?
O34 C33 C34 111.2(13) . . ?
F35 C33 F36 103.8(10) . . ?
O34 C33 F36 106.2(11) . . ?
C34 C33 F36 92.4(14) . . ?
F38 C34 F37 116(3) . . ?
F38 C34 F39 110.5(15) . . ?
F37 C34 F39 112.3(14) . . ?
F38 C34 C33 116.2(15) . . ?
F37 C34 C33 94.7(16) . . ?
F39 C34 C33 106(2) . . ?
F41 C41 F42 108.5(5) . . ?
F41 C41 C42 109.3(6) . . ?
F42 C41 C42 107.4(6) . . ?
F41 C41 S4 108.7(5) . . ?
F42 C41 S4 106.2(5) . . ?
C42 C41 S4 116.5(5) . . ?
F44 C42 F43 107.0(7) . . ?
F44 C42 O44 111.9(7) . . ?
F43 C42 O44 110.3(7) . . ?
F44 C42 C41 109.2(6) . . ?
F43 C42 C41 110.1(7) . . ?
O44 C42 C41 108.3(6) . . ?
F45 C43 F46 108.7(9) . . ?
F45 C43 O44 112.9(8) . . ?
F46 C43 O44 111.1(8) . . ?
F45 C43 C44 108.7(8) . . ?
F46 C43 C44 107.5(9) . . ?
O44 C43 C44 107.8(8) . . ?
F49 C44 F48 110.3(10) . . ?
F49 C44 F47 108.9(10) . . ?
F48 C44 F47 108.8(10) . . ?
F49 C44 C43 110.0(10) . . ?
F48 C44 C43 108.9(9) . . ?
F47 C44 C43 109.9(8) . . ?
F52 C51 F51 108.8(6) . . ?
F52 C51 C52 109.1(6) . . ?
F51 C51 C52 106.6(6) . . ?
F52 C51 S5 108.4(5) . . ?
F51 C51 S5 108.3(5) . . ?
C52 C51 S5 115.4(5) . . ?
F53 C52 F54 106.8(8) . . ?
F53 C52 O54 111.3(8) . . ?
F54 C52 O54 111.0(7) . . ?
F53 C52 C51 109.4(7) . . ?
F54 C52 C51 108.8(7) . . ?
O54 C52 C51 109.5(6) . . ?
F55 C53 F56 109.5(9) . . ?
F55 C53 O54 112.0(8) . . ?
F56 C53 O54 111.4(9) . . ?
F55 C53 C54 108.2(9) . . ?
F56 C53 C54 107.1(8) . . ?
O54 C53 C54 108.4(8) . . ?
F59 C54 F58 106.6(10) . . ?
F59 C54 F57 109.8(9) . . ?
F58 C54 F57 109.3(9) . . ?
F59 C54 C53 110.6(9) . . ?
F58 C54 C53 110.7(9) . . ?
F57 C54 C53 109.8(9) . . ?
F62 C61 F61 107.9(7) . . ?
F62 C61 C62 108.6(7) . . ?
F61 C61 C62 107.0(7) . . ?
F62 C61 S6 109.2(6) . . ?
F61 C61 S6 106.9(5) . . ?
C62 C61 S6 116.9(6) . . ?
F64 C62 F63 108.0(8) . . ?
F64 C62 O64 110.8(7) . . ?
F63 C62 O64 111.8(8) . . ?
F64 C62 C61 109.4(8) . . ?
F63 C62 C61 109.0(7) . . ?
O64 C62 C61 107.7(7) . . ?
F66 C63 F65 108.6(9) . . ?
F66 C63 O64 111.8(8) . . ?
F65 C63 O64 110.4(8) . . ?
F66 C63 C64 109.7(8) . . ?
F65 C63 C64 108.5(8) . . ?
O64 C63 C64 107.8(7) . . ?
F68 C64 F69 109.4(9) . . ?
F68 C64 F67 109.4(8) . . ?
F69 C64 F67 108.8(8) . . ?
F68 C64 C63 110.4(9) . . ?
F69 C64 C63 108.5(8) . . ?
F67 C64 C63 110.3(7) . . ?

_refine_diff_density_max         8.862
_refine_diff_density_min         -2.704
_refine_diff_density_rms         0.288
_vrf_PLAT043_euf3mo              
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..      12.09 Check 
RESPONSE: The reported weight inludes unlocalized water H atoms
;
_vrf_PLAT097_euf3mo              
;
PROBLEM: Large Reported Max.  (Positive) Residual Density       8.86 eA-3  
RESPONSE: The scattering volume was small and the crystal was twinned
;
_vrf_PLAT196_euf3mo              
;
PROBLEM: No TEMP record and _measurement_temperature .NE.        293 Degree
RESPONSE: As there are no found H atoms the temperature declared in the SHELXL 
input file is of no importance. The temperature of the data collection is given
elsewhere
;
_vrf_PLAT201_euf3mo              
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......          7 Report
RESPONSE: These are disordered atoms
;
_vrf_PLAT220_euf3mo              
;
PROBLEM: NonSolvent   Resd 1  F   Ueq(max)/Ueq(min) Range        8.1 Ratio 
RESPONSE: The probale reason is that the scattering volume was small
and the crystal was twinned.
;
_vrf_PLAT230_euf3mo              
;
PROBLEM: Hirshfeld Test Diff for    F26      --C23      .        7.2 s.u.  
RESPONSE: The probale reason is that the scattering volume was small
and the crystal was twinned.
;
_vrf_PLAT242_euf3mo              
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        C33 Check 
RESPONSE: The probale reason is the C33-C34 end of the ligand is either 
slightly disordered or rocks/rotates around the O33-C33 axis.
;
_vrf_PLAT306_euf3mo              
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......       Ow11 Check 
RESPONSE: These are water O atoms; the H atoms have not been found.
;

_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: water'
