# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_Cs+Eu(tbc)4
_database_code_depnum_ccdc_archive 'CCDC 2122503'
loop_
_audit_author_name
_audit_author_address
'jatish kumar'
;IISER Tirupati
India
;
_audit_update_record             
;
2021-11-16 deposited with the CCDC.	2022-06-17 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C48 H56 Cs Eu F12 O10'
_chemical_formula_moiety         'C48 H56 Cs Eu F12 O10'
_chemical_formula_weight         1305.81
_chemical_melting_point          ?
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      tetragonal
_space_group_name_H-M_alt        'I 4'
_space_group_name_Hall           'I 4'
_space_group_IT_number           79
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -Y,+X,+Z
3 -X,-Y,+Z
4 +Y,-X,+Z
5 1/2+X,1/2+Y,1/2+Z
6 1/2-Y,1/2+X,1/2+Z
7 1/2-X,1/2-Y,1/2+Z
8 1/2+Y,1/2-X,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   17.4004(3)
_cell_length_b                   17.4004(3)
_cell_length_c                   8.41371(15)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     2547.45(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    22145
_cell_measurement_theta_min      3.31
_cell_measurement_theta_max      27.48
_cell_measurement_temperature    123
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1300.00
_exptl_absorpt_coefficient_mu    2.031
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.785
_exptl_absorpt_correction_T_max  0.903

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      123
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            21982
_diffrn_reflns_av_R_equivalents  0.0177
_diffrn_reflns_theta_max         27.479
_diffrn_reflns_theta_min         3.312
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             2909
_reflns_number_gt                2893
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0260
_refine_ls_R_factor_gt           0.0260
_refine_ls_wR_factor_ref         0.0727
_refine_ls_wR_factor_gt          0.0727
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         2909
_refine_ls_number_parameters     169
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0512P)²+1.0349P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         0.59
_refine_diff_density_min         -2.46
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
 Flack x determined using 1324 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.012(4)

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Eu Eu -0.1578 3.6682
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cs Cs -0.3680 2.1192
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.5 0.5 0.29160(2) 0.01329(11) Uani 1 2 d . . .
Cs1 Cs 0.5 0.5 0.78839(13) 0.03480(15) Uani 1 2 d . . .
F1 F 0.7474(2) 0.4247(2) 0.6535(4) 0.0544(9) Uani 1 8 d . . .
F2 F 0.7335(3) 0.3167(2) 0.5429(5) 0.0648(12) Uani 1 8 d . . .
F3 F 0.64434(19) 0.3626(4) 0.6909(5) 0.0938(19) Uani 1 8 d . . .
O1 O 0.58487(15) 0.42445(15) 0.4448(4) 0.0195(5) Uani 1 8 d . . .
O2 O 0.61468(14) 0.49401(15) 0.1294(3) 0.0177(5) Uani 1 8 d . . .
O3 O 0.5 0.5 0.546(5) 0.095(5) Uani 1 2 d . . .
O4 O 0.5 0.5 0.041(3) 0.051(2) Uani 1 2 d . . .
C1 C 0.6942(3) 0.3805(3) 0.5832(6) 0.0322(10) Uani 1 8 d . . .
C2 C 0.6582(2) 0.4193(2) 0.4380(5) 0.0198(7) Uani 1 8 d . . .
C3 C 0.7060(2) 0.4443(2) 0.3207(5) 0.0187(8) Uani 1 8 d . . .
C4 C 0.79337(19) 0.4411(2) 0.3060(7) 0.0275(8) Uani 1 8 d . . .
C5 C 0.8122(3) 0.3801(3) 0.1811(6) 0.0349(10) Uani 1 8 d . . .
C6 C 0.7812(3) 0.4175(3) 0.0268(6) 0.0315(10) Uani 1 8 d . . .
C7 C 0.7525(2) 0.4976(3) 0.0799(5) 0.0226(8) Uani 1 8 d . . .
C8 C 0.6810(2) 0.4803(2) 0.1750(4) 0.0156(6) Uani 1 8 d . . .
C9 C 0.8092(2) 0.5174(3) 0.2166(6) 0.0313(9) Uani 1 8 d . . .
C10 C 0.7855(3) 0.5884(3) 0.3119(9) 0.0436(12) Uani 1 8 d . . .
C11 C 0.8930(3) 0.5275(4) 0.1650(8) 0.0502(15) Uani 1 8 d . . .
C12 C 0.7419(3) 0.5560(3) -0.0521(6) 0.0341(10) Uani 1 8 d . . .
H4 H 0.82145 0.43519 0.40903 0.0330 Uiso 1 8 calc R . .
H5A H 0.78558 0.33107 0.20418 0.0419 Uiso 1 8 calc R . .
H5B H 0.86818 0.37077 0.17449 0.0419 Uiso 1 8 calc R . .
H6A H 0.82249 0.42221 -0.05366 0.0378 Uiso 1 8 calc R . .
H6B H 0.73867 0.38674 -0.01855 0.0378 Uiso 1 8 calc R . .
H10A H 0.79572 0.63473 0.24927 0.0523 Uiso 1 8 calc R . .
H10B H 0.81509 0.59035 0.41099 0.0523 Uiso 1 8 calc R . .
H10C H 0.73056 0.58547 0.33669 0.0523 Uiso 1 8 calc R . .
H11A H 0.90882 0.48319 0.10086 0.0603 Uiso 1 8 calc R . .
H11B H 0.92589 0.53111 0.25933 0.0603 Uiso 1 8 calc R . .
H11C H 0.89805 0.57453 0.10185 0.0603 Uiso 1 8 calc R . .
H12A H 0.72194 0.60402 -0.00737 0.0409 Uiso 1 8 calc R . .
H12B H 0.70534 0.53589 -0.13045 0.0409 Uiso 1 8 calc R . .
H12C H 0.79137 0.56573 -0.10374 0.0409 Uiso 1 8 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Eu1 O1 2.360(3) yes . .
Eu1 O1 2.360(3) yes . 2_655
Eu1 O1 2.360(3) yes . 3_665
Eu1 O1 2.360(3) yes . 4_565
Eu1 O2 2.420(3) yes . .
Eu1 O2 2.420(3) yes . 2_655
Eu1 O2 2.420(3) yes . 3_665
Eu1 O2 2.420(3) yes . 4_565
Eu1 O3 2.14(4) yes . .
Eu1 O4 2.11(3) yes . .
Cs1 O3 2.04(4) yes . .
Cs1 O4 2.13(3) yes . 1_556
F1 C1 1.341(6) yes . .
F2 C1 1.347(7) yes . .
F3 C1 1.293(6) yes . .
O1 C2 1.280(4) yes . .
O2 C8 1.240(4) yes . .
C1 C2 1.530(6) yes . .
C2 C3 1.362(5) yes . .
C3 C4 1.526(5) yes . .
C3 C8 1.443(5) yes . .
C4 C5 1.528(7) yes . .
C4 C9 1.552(7) yes . .
C5 C6 1.549(7) yes . .
C6 C7 1.548(7) yes . .
C7 C8 1.509(5) yes . .
C7 C9 1.554(6) yes . .
C7 C12 1.516(7) yes . .
C9 C10 1.528(7) yes . .
C9 C11 1.532(7) yes . .
C4 H4 1.000 no . .
C5 H5A 0.990 no . .
C5 H5B 0.990 no . .
C6 H6A 0.990 no . .
C6 H6B 0.990 no . .
C10 H10A 0.980 no . .
C10 H10B 0.980 no . .
C10 H10C 0.980 no . .
C11 H11A 0.980 no . .
C11 H11B 0.980 no . .
C11 H11C 0.980 no . .
C12 H12A 0.980 no . .
C12 H12B 0.980 no . .
C12 H12C 0.980 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
O1 Eu1 O1 72.65(9) yes . . 2_655
O1 Eu1 O1 113.79(10) yes . . 3_665
O1 Eu1 O1 72.65(9) yes . . 4_565
O1 Eu1 O2 76.59(9) yes . . .
O1 Eu1 O2 137.77(9) yes . . 2_655
O1 Eu1 O2 148.00(9) yes . . 3_665
O1 Eu1 O2 82.86(9) yes . . 4_565
O1 Eu1 O3 56.90(7) yes . . .
O1 Eu1 O4 123.10(7) yes . . .
O1 Eu1 O1 72.65(9) yes 2_655 . 3_665
O1 Eu1 O1 113.79(10) yes 2_655 . 4_565
O1 Eu1 O2 82.86(9) yes 2_655 . .
O1 Eu1 O2 76.59(9) yes 2_655 . 2_655
O1 Eu1 O2 137.77(9) yes 2_655 . 3_665
O1 Eu1 O2 148.00(9) yes 2_655 . 4_565
O1 Eu1 O3 56.90(7) yes 2_655 . .
O1 Eu1 O4 123.10(7) yes 2_655 . .
O1 Eu1 O1 72.65(9) yes 3_665 . 4_565
O1 Eu1 O2 148.00(9) yes 3_665 . .
O1 Eu1 O2 82.86(9) yes 3_665 . 2_655
O1 Eu1 O2 76.59(9) yes 3_665 . 3_665
O1 Eu1 O2 137.77(9) yes 3_665 . 4_565
O1 Eu1 O3 56.90(7) yes 3_665 . .
O1 Eu1 O4 123.10(7) yes 3_665 . .
O1 Eu1 O2 137.77(9) yes 4_565 . .
O1 Eu1 O2 148.00(9) yes 4_565 . 2_655
O1 Eu1 O2 82.86(9) yes 4_565 . 3_665
O1 Eu1 O2 76.59(9) yes 4_565 . 4_565
O1 Eu1 O3 56.90(7) yes 4_565 . .
O1 Eu1 O4 123.10(7) yes 4_565 . .
O2 Eu1 O2 71.45(9) yes . . 2_655
O2 Eu1 O2 111.33(9) yes . . 3_665
O2 Eu1 O2 71.45(9) yes . . 4_565
O2 Eu1 O3 124.34(6) yes . . .
O2 Eu1 O4 55.66(6) yes . . .
O2 Eu1 O2 71.45(9) yes 2_655 . 3_665
O2 Eu1 O2 111.33(9) yes 2_655 . 4_565
O2 Eu1 O3 124.34(6) yes 2_655 . .
O2 Eu1 O4 55.66(6) yes 2_655 . .
O2 Eu1 O2 71.45(9) yes 3_665 . 4_565
O2 Eu1 O3 124.34(6) yes 3_665 . .
O2 Eu1 O4 55.66(6) yes 3_665 . .
O2 Eu1 O3 124.34(6) yes 4_565 . .
O2 Eu1 O4 55.66(6) yes 4_565 . .
O3 Eu1 O4 180.000 yes . . .
O3 Cs1 O4 180.000(5) yes . . 1_556
Eu1 O1 C2 129.7(3) yes . . .
Eu1 O2 C8 127.0(2) yes . . .
Eu1 O3 Cs1 180.000 yes . . .
Eu1 O4 Cs1 180.000 yes . . 1_554
F1 C1 F2 103.5(4) yes . . .
F1 C1 F3 107.0(4) yes . . .
F1 C1 C2 112.5(4) yes . . .
F2 C1 F3 108.6(5) yes . . .
F2 C1 C2 111.8(4) yes . . .
F3 C1 C2 113.0(4) yes . . .
O1 C2 C1 113.8(3) yes . . .
O1 C2 C3 128.2(4) yes . . .
C1 C2 C3 118.0(3) yes . . .
C2 C3 C4 130.9(4) yes . . .
C2 C3 C8 124.8(3) yes . . .
C4 C3 C8 104.3(3) yes . . .
C3 C4 C5 107.1(3) yes . . .
C3 C4 C9 100.6(3) yes . . .
C5 C4 C9 102.9(4) yes . . .
C4 C5 C6 102.2(4) yes . . .
C5 C6 C7 104.4(4) yes . . .
C6 C7 C8 103.8(3) yes . . .
C6 C7 C9 102.0(3) yes . . .
C6 C7 C12 115.6(4) yes . . .
C8 C7 C9 100.1(3) yes . . .
C8 C7 C12 114.9(3) yes . . .
C9 C7 C12 118.1(4) yes . . .
O2 C8 C3 128.8(3) yes . . .
O2 C8 C7 124.4(3) yes . . .
C3 C8 C7 106.8(3) yes . . .
C4 C9 C7 93.2(3) yes . . .
C4 C9 C10 112.9(4) yes . . .
C4 C9 C11 113.8(4) yes . . .
C7 C9 C10 113.3(4) yes . . .
C7 C9 C11 114.9(4) yes . . .
C10 C9 C11 108.3(4) yes . . .
C3 C4 H4 114.874 no . . .
C5 C4 H4 114.880 no . . .
C9 C4 H4 114.876 no . . .
C4 C5 H5A 111.326 no . . .
C4 C5 H5B 111.321 no . . .
C6 C5 H5A 111.334 no . . .
C6 C5 H5B 111.324 no . . .
H5A C5 H5B 109.214 no . . .
C5 C6 H6A 110.885 no . . .
C5 C6 H6B 110.876 no . . .
C7 C6 H6A 110.881 no . . .
C7 C6 H6B 110.871 no . . .
H6A C6 H6B 108.912 no . . .
C9 C10 H10A 109.470 no . . .
C9 C10 H10B 109.466 no . . .
C9 C10 H10C 109.475 no . . .
H10A C10 H10B 109.471 no . . .
H10A C10 H10C 109.468 no . . .
H10B C10 H10C 109.478 no . . .
C9 C11 H11A 109.471 no . . .
C9 C11 H11B 109.473 no . . .
C9 C11 H11C 109.476 no . . .
H11A C11 H11B 109.473 no . . .
H11A C11 H11C 109.472 no . . .
H11B C11 H11C 109.462 no . . .
C7 C12 H12A 109.469 no . . .
C7 C12 H12B 109.464 no . . .
C7 C12 H12C 109.472 no . . .
H12A C12 H12B 109.473 no . . .
H12A C12 H12C 109.480 no . . .
H12B C12 H12C 109.470 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1 Eu1 O1 C2 171.1(3) no . . 2_655 2_655
O1 Eu1 O1 C2 -66.2(2) no 2_655 . . .
O1 Eu1 O1 C2 -127.6(2) no . . 3_665 3_665
O1 Eu1 O1 C2 -127.6(2) no 3_665 . . .
O1 Eu1 O1 C2 -66.2(2) no . . 4_565 4_565
O1 Eu1 O1 C2 171.1(3) no 4_565 . . .
O1 Eu1 O2 C8 -22.2(2) no . . . .
O2 Eu1 O1 C2 20.4(2) no . . . .
O1 Eu1 O2 C8 -66.2(3) no . . 2_655 2_655
O2 Eu1 O1 C2 -21.1(3) no 2_655 . . .
O1 Eu1 O2 C8 91.5(3) no . . 3_665 3_665
O2 Eu1 O1 C2 129.3(2) no 3_665 . . .
O1 Eu1 O2 C8 51.6(2) no . . 4_565 4_565
O2 Eu1 O1 C2 92.9(2) no 4_565 . . .
O3 Eu1 O1 C2 -127.6(2) no . . . .
O4 Eu1 O1 C2 52.4(2) no . . . .
O1 Eu1 O1 C2 171.1(3) no 2_655 . 3_665 3_665
O1 Eu1 O1 C2 -66.2(2) no 3_665 . 2_655 2_655
O1 Eu1 O1 C2 -127.6(2) no 2_655 . 4_565 4_565
O1 Eu1 O1 C2 -127.6(2) no 4_565 . 2_655 2_655
O1 Eu1 O2 C8 51.6(2) no 2_655 . . .
O2 Eu1 O1 C2 92.9(2) no . . 2_655 2_655
O1 Eu1 O2 C8 -22.2(2) no 2_655 . 2_655 2_655
O2 Eu1 O1 C2 20.4(2) no 2_655 . 2_655 2_655
O1 Eu1 O2 C8 -66.2(3) no 2_655 . 3_665 3_665
O2 Eu1 O1 C2 -21.1(3) no 3_665 . 2_655 2_655
O1 Eu1 O2 C8 91.5(3) no 2_655 . 4_565 4_565
O2 Eu1 O1 C2 129.3(2) no 4_565 . 2_655 2_655
O3 Eu1 O1 C2 -127.6(2) no . . 2_655 2_655
O4 Eu1 O1 C2 52.4(2) no . . 2_655 2_655
O1 Eu1 O1 C2 171.1(3) no 3_665 . 4_565 4_565
O1 Eu1 O1 C2 -66.2(2) no 4_565 . 3_665 3_665
O1 Eu1 O2 C8 91.5(3) no 3_665 . . .
O2 Eu1 O1 C2 129.3(2) no . . 3_665 3_665
O1 Eu1 O2 C8 51.6(2) no 3_665 . 2_655 2_655
O2 Eu1 O1 C2 92.9(2) no 2_655 . 3_665 3_665
O1 Eu1 O2 C8 -22.2(2) no 3_665 . 3_665 3_665
O2 Eu1 O1 C2 20.4(2) no 3_665 . 3_665 3_665
O1 Eu1 O2 C8 -66.2(3) no 3_665 . 4_565 4_565
O2 Eu1 O1 C2 -21.1(3) no 4_565 . 3_665 3_665
O3 Eu1 O1 C2 -127.6(2) no . . 3_665 3_665
O4 Eu1 O1 C2 52.4(2) no . . 3_665 3_665
O1 Eu1 O2 C8 -66.2(3) no 4_565 . . .
O2 Eu1 O1 C2 -21.1(3) no . . 4_565 4_565
O1 Eu1 O2 C8 91.5(3) no 4_565 . 2_655 2_655
O2 Eu1 O1 C2 129.3(2) no 2_655 . 4_565 4_565
O1 Eu1 O2 C8 51.6(2) no 4_565 . 3_665 3_665
O2 Eu1 O1 C2 92.9(2) no 3_665 . 4_565 4_565
O1 Eu1 O2 C8 -22.2(2) no 4_565 . 4_565 4_565
O2 Eu1 O1 C2 20.4(2) no 4_565 . 4_565 4_565
O3 Eu1 O1 C2 -127.6(2) no . . 4_565 4_565
O4 Eu1 O1 C2 52.4(2) no . . 4_565 4_565
O2 Eu1 O2 C8 -109.0(2) no . . 2_655 2_655
O2 Eu1 O2 C8 129.8(2) no 2_655 . . .
O2 Eu1 O2 C8 -169.62(19) no . . 3_665 3_665
O2 Eu1 O2 C8 -169.62(19) no 3_665 . . .
O2 Eu1 O2 C8 129.8(2) no . . 4_565 4_565
O2 Eu1 O2 C8 -109.0(2) no 4_565 . . .
O3 Eu1 O2 C8 10.4(2) no . . . .
O4 Eu1 O2 C8 -169.6(2) no . . . .
O2 Eu1 O2 C8 -109.0(2) no 2_655 . 3_665 3_665
O2 Eu1 O2 C8 129.8(2) no 3_665 . 2_655 2_655
O2 Eu1 O2 C8 -169.62(19) no 2_655 . 4_565 4_565
O2 Eu1 O2 C8 -169.62(19) no 4_565 . 2_655 2_655
O3 Eu1 O2 C8 10.4(2) no . . 2_655 2_655
O4 Eu1 O2 C8 -169.6(2) no . . 2_655 2_655
O2 Eu1 O2 C8 -109.0(2) no 3_665 . 4_565 4_565
O2 Eu1 O2 C8 129.8(2) no 4_565 . 3_665 3_665
O3 Eu1 O2 C8 10.4(2) no . . 3_665 3_665
O4 Eu1 O2 C8 -169.6(2) no . . 3_665 3_665
O3 Eu1 O2 C8 10.4(2) no . . 4_565 4_565
O4 Eu1 O2 C8 -169.6(2) no . . 4_565 4_565
Eu1 O1 C2 C1 165.08(18) no . . . .
Eu1 O1 C2 C3 -14.3(6) no . . . .
Eu1 O2 C8 C3 18.8(5) no . . . .
Eu1 O2 C8 C7 -162.90(19) no . . . .
F1 C1 C2 O1 -124.1(4) no . . . .
F1 C1 C2 C3 55.3(5) no . . . .
F2 C1 C2 O1 120.0(4) no . . . .
F2 C1 C2 C3 -60.6(5) no . . . .
F3 C1 C2 O1 -2.9(6) no . . . .
F3 C1 C2 C3 176.6(4) no . . . .
O1 C2 C3 C4 179.0(3) no . . . .
O1 C2 C3 C8 -2.2(6) no . . . .
C1 C2 C3 C4 -0.3(6) no . . . .
C1 C2 C3 C8 178.5(3) no . . . .
C2 C3 C4 C5 107.3(5) no . . . .
C2 C3 C4 C9 -145.6(4) no . . . .
C2 C3 C8 O2 -0.9(6) no . . . .
C2 C3 C8 C7 -179.4(3) no . . . .
C4 C3 C8 O2 178.2(3) no . . . .
C4 C3 C8 C7 -0.4(4) no . . . .
C8 C3 C4 C5 -71.6(4) no . . . .
C8 C3 C4 C9 35.5(4) no . . . .
C3 C4 C5 C6 67.6(4) no . . . .
C3 C4 C9 C7 -54.1(4) no . . . .
C3 C4 C9 C10 62.9(4) no . . . .
C3 C4 C9 C11 -173.1(3) no . . . .
C5 C4 C9 C7 56.3(3) no . . . .
C5 C4 C9 C10 173.4(3) no . . . .
C5 C4 C9 C11 -62.7(4) no . . . .
C9 C4 C5 C6 -38.0(4) no . . . .
C4 C5 C6 C7 3.2(4) no . . . .
C5 C6 C7 C8 -71.3(4) no . . . .
C5 C6 C7 C9 32.4(4) no . . . .
C5 C6 C7 C12 161.9(3) no . . . .
C6 C7 C8 O2 -108.2(4) no . . . .
C6 C7 C8 C3 70.4(4) no . . . .
C6 C7 C9 C4 -53.1(3) no . . . .
C6 C7 C9 C10 -169.8(3) no . . . .
C6 C7 C9 C11 65.1(4) no . . . .
C8 C7 C9 C4 53.5(3) no . . . .
C8 C7 C9 C10 -63.1(4) no . . . .
C8 C7 C9 C11 171.7(3) no . . . .
C9 C7 C8 O2 146.6(3) no . . . .
C9 C7 C8 C3 -34.8(4) no . . . .
C12 C7 C8 O2 19.0(5) no . . . .
C12 C7 C8 C3 -162.4(3) no . . . .
C12 C7 C9 C4 179.0(3) no . . . .
C12 C7 C9 C10 62.4(5) no . . . .
C12 C7 C9 C11 -62.8(5) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Eu1 C2 3.327(4) no . 2_655
Eu1 C2 3.327(4) no . 3_665
Eu1 C2 3.327(4) no . 4_565
Eu1 C8 3.317(4) no . 2_655
Eu1 C8 3.317(4) no . 3_665
Eu1 C8 3.317(4) no . 4_565
Cs1 F3 3.563(5) no . .
Cs1 F3 3.563(5) no . 2_655
Cs1 F3 3.563(5) no . 3_665
Cs1 F3 3.563(5) no . 4_565
Cs1 O1 3.502(3) no . .
Cs1 O1 3.502(3) no . 2_655
Cs1 O1 3.502(3) no . 3_665
Cs1 O1 3.502(3) no . 4_565
Cs1 O2 3.496(3) no . 1_556
Cs1 O2 3.496(3) no . 2_656
Cs1 O2 3.496(3) no . 3_666
Cs1 O2 3.496(3) no . 4_566
F1 O1 3.329(4) no . .
F1 C3 2.911(5) no . .
F1 C4 3.044(7) no . .
F1 C6 3.198(6) no . 1_556
F1 C12 3.372(6) no . 1_556
F2 O1 3.299(5) no . .
F2 C3 2.942(6) no . .
F2 C4 3.121(6) no . .
F2 C5 3.516(7) no . .
F3 O1 2.553(6) no . .
F3 C3 3.588(6) no . .
F3 C12 3.216(7) no . 4_566
O1 C2 3.221(5) no . 4_565
O1 C3 3.497(4) no . 4_565
O1 C8 2.983(5) no . .
O1 C8 3.440(5) no . 4_565
O2 C2 3.001(5) no . .
O2 C4 3.567(5) no . .
O2 C6 3.304(6) no . .
O2 C9 3.488(5) no . .
O2 C12 2.897(5) no . .
O3 C2 3.221(12) no . .
O3 C2 3.221(12) no . 2_655
O3 C2 3.221(12) no . 3_665
O3 C2 3.221(12) no . 4_565
O4 C8 3.363(9) no . .
O4 C8 3.363(9) no . 2_655
O4 C8 3.363(9) no . 3_665
O4 C8 3.363(9) no . 4_565
C1 C4 3.086(7) no . .
C2 C5 3.509(6) no . .
C3 C6 2.837(6) no . .
C3 C10 2.864(6) no . .
C5 C8 2.871(6) no . .
C5 C11 2.928(8) no . .
C6 C11 2.967(8) no . .
C8 C10 2.858(6) no . .
C10 C12 3.206(9) no . .
C11 C12 3.241(7) no . .
F1 H4 2.4338 no . .
F1 H6A 2.7894 no . 1_556
F1 H6B 2.8414 no . 1_556
F1 H10A 3.1450 no . 6_645
F1 H11C 3.1629 no . 6_645
F1 H12B 2.7543 no . 1_556
F1 H12C 3.2837 no . 1_556
F2 H4 2.8048 no . .
F2 H5A 3.0013 no . .
F2 H5A 2.9255 no . 7_655
F2 H10A 3.5886 no . 4_565
F2 H10A 2.8998 no . 6_645
F2 H10B 3.5619 no . 4_565
F2 H10C 3.2118 no . 4_565
F2 H12A 3.3005 no . 6_645
F3 H5A 3.5862 no . 7_655
F3 H6B 2.9739 no . 1_556
F3 H10C 3.5445 no . 4_565
F3 H12A 3.0168 no . 4_566
F3 H12B 3.5317 no . 1_556
F3 H12B 2.6867 no . 4_566
F3 H12C 3.4694 no . 4_566
O1 H10C 2.8465 no . 4_565
O2 H6B 3.1125 no . .
O2 H10C 3.1050 no . .
O2 H12A 2.9106 no . .
O2 H12B 2.7926 no . .
C1 H4 2.8202 no . .
C1 H6B 3.4407 no . 1_556
C1 H10C 3.4082 no . 4_565
C2 H4 2.8646 no . .
C2 H5A 3.3377 no . .
C2 H10C 3.2671 no . .
C2 H10C 3.0210 no . 4_565
C3 H5A 2.6000 no . .
C3 H5B 3.3336 no . .
C3 H6B 3.0776 no . .
C3 H10B 3.2618 no . .
C3 H10C 2.4970 no . .
C4 H6A 3.0860 no . .
C4 H6B 3.0426 no . .
C4 H10A 3.4040 no . .
C4 H10B 2.7698 no . .
C4 H10C 2.7524 no . .
C4 H11A 2.7484 no . .
C4 H11B 2.8156 no . .
C4 H11C 3.4152 no . .
C4 H11C 3.4695 no . 6_645
C5 H10B 3.0538 no . 6_644
C5 H11A 2.5498 no . .
C5 H11B 3.3543 no . .
C5 H12C 3.1901 no . 6_645
C6 H4 3.3058 no . .
C6 H10A 3.4753 no . 6_644
C6 H10B 3.0191 no . 6_644
C6 H11A 2.5738 no . .
C6 H11C 3.4639 no . .
C6 H12A 3.4182 no . .
C6 H12B 2.7821 no . .
C6 H12C 2.8093 no . .
C7 H4 3.2079 no . .
C7 H5A 3.1348 no . .
C7 H5B 3.0919 no . .
C7 H10A 2.8786 no . .
C7 H10B 3.3984 no . .
C7 H10C 2.6739 no . .
C7 H11A 2.7373 no . .
C7 H11B 3.4237 no . .
C7 H11C 2.8702 no . .
C8 H4 3.2348 no . .
C8 H5A 3.1797 no . .
C8 H6A 3.2833 no . .
C8 H6B 2.5112 no . .
C8 H10A 3.4053 no . .
C8 H10C 2.4382 no . .
C8 H12A 2.7379 no . .
C8 H12B 2.7782 no . .
C8 H12C 3.3757 no . .
C9 H5A 3.2707 no . .
C9 H5B 2.7735 no . .
C9 H6A 2.8230 no . .
C9 H6B 3.2548 no . .
C9 H12A 2.8506 no . .
C9 H12B 3.4490 no . .
C9 H12C 2.8400 no . .
C10 H4 2.8568 no . .
C10 H5B 3.4752 no . 8_565
C10 H6A 3.0565 no . 8_565
C10 H11A 3.3326 no . .
C10 H11B 2.6747 no . .
C10 H11C 2.6489 no . .
C10 H12A 2.9182 no . .
C10 H12C 3.5210 no . .
C11 H4 2.8888 no . .
C11 H4 3.4767 no . 8_564
C11 H5B 2.7619 no . .
C11 H6A 2.8717 no . .
C11 H6A 3.5604 no . 8_565
C11 H10A 2.6179 no . .
C11 H10B 2.7056 no . .
C11 H10C 3.3314 no . .
C11 H11A 3.4946 no . 3_765
C11 H11B 3.4052 no . 3_765
C11 H12A 3.5695 no . .
C11 H12C 2.9472 no . .
C12 H5B 3.4737 no . 8_564
C12 H6A 2.7179 no . .
C12 H6B 2.9588 no . .
C12 H10A 3.0307 no . .
C12 H10C 3.3168 no . .
C12 H11A 3.4207 no . .
C12 H11C 3.0280 no . .
H4 H5A 2.5773 no . .
H4 H5B 2.4108 no . .
H4 H10B 2.7022 no . .
H4 H10C 3.1160 no . .
H4 H11A 3.1196 no . .
H4 H11B 2.7703 no . .
H4 H11C 2.5151 no . 6_645
H4 H12C 3.1824 no . 6_645
H5A H6A 2.7629 no . .
H5A H6B 2.2620 no . .
H5A H10A 3.4498 no . 4_565
H5A H10B 3.2899 no . 6_644
H5A H11A 3.5158 no . .
H5A H12C 3.1278 no . 6_645
H5B H6A 2.2623 no . .
H5B H6B 2.7917 no . .
H5B H10B 2.5248 no . 6_644
H5B H11A 2.1703 no . .
H5B H11B 3.0499 no . .
H5B H12C 2.5909 no . 6_645
H6A H10A 2.8544 no . 6_644
H6A H10B 2.4213 no . 6_644
H6A H11A 2.2523 no . .
H6A H11B 2.9949 no . 6_644
H6A H11C 3.2350 no . .
H6A H11C 3.4334 no . 6_644
H6A H12B 2.9130 no . .
H6A H12C 2.5898 no . .
H6B H10A 3.3432 no . 6_644
H6B H10B 3.2798 no . 6_644
H6B H11A 3.5485 no . .
H6B H12A 3.0124 no . 4_565
H6B H12B 2.8210 no . .
H6B H12C 3.3249 no . .
H10A H11A 3.5193 no . .
H10A H11B 2.8963 no . .
H10A H11C 2.4096 no . .
H10A H12A 2.5683 no . .
H10A H12C 3.2045 no . .
H10B H11A 3.5980 no . .
H10B H11A 3.3329 no . 8_565
H10B H11B 2.5314 no . .
H10B H11C 2.9874 no . .
H10C H11B 3.5875 no . .
H10C H11C 3.5262 no . .
H10C H12A 2.9166 no . .
H11A H11A 3.2266 no . 3_765
H11A H11B 3.1799 no . 3_765
H11A H11B 3.2162 no . 6_644
H11A H11C 3.5074 no . 3_765
H11A H12C 3.0336 no . .
H11B H11B 2.7971 no . 3_765
H11C H12A 3.2401 no . .
H11C H12C 2.5419 no . .

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



