# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_p-sr
_database_code_depnum_ccdc_archive 'CCDC 1023321'
_audit_update_record             
;
2014-09-08 deposited with the CCDC.
2015-10-23 downloaded from the CCDC.
;
_audit_creation_date             2014-09-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.08.28 svn.r2986 for OlexSys, GUI svn.r4874)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C48 H24 Eu3 O26'
_chemical_formula_sum            'C48 H24 Eu3 O26'
_chemical_formula_weight         1472.55
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   11.6692(4)
_cell_length_b                   12.2365(4)
_cell_length_c                   13.6586(6)
_cell_angle_alpha                65.229(4)
_cell_angle_beta                 67.518(4)
_cell_angle_gamma                88.435(3)
_cell_volume                     1615.62(10)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_exptl_absorpt_coefficient_mu    2.947
_exptl_absorpt_correction_T_max  0.7571
_exptl_absorpt_correction_T_min  0.7375
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             709
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_unetI/netI     0.0533
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18053
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.87
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4683
_reflns_number_total             5686
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.626
_refine_diff_density_min         -0.528
_refine_diff_density_rms         0.123
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     350
_refine_ls_number_reflns         5686
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0321
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0372P)²+0.7631P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0865
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2.a Rotating group:
 O1W(H1WA,H1WB)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C8(H8), C11(H11), C14(H14), C16(H16), C18(H18), C21(H21),
 C24(H24)
2.c Tetrahedral OH refined with riding coordinates:
 O10(H10)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_site_symmetry_order
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Eu1 Eu 0.5000 0.5000 0.5000 0.01467(10) Uani 1 d . . 2 S T P
Eu2 Eu 0.43318(2) 1.33010(2) 0.32575(2) 0.01775(9) Uani 1 d . . 1 . . .
O1W O 0.6532(4) 1.4051(4) 0.1933(4) 0.0525(13) Uani 1 d . . 1 . . .
H1WA H 0.7116 1.4256 0.2116 0.079 Uiso 1 d . . 1 GR . .
H1WB H 0.6876 1.4162 0.1192 0.079 Uiso 1 d . . 1 GR . .
O1 O 0.4768(4) 0.5312(3) 0.3092(3) 0.0305(9) Uani 1 d . . 1 . . .
O2 O 0.5374(4) 0.6890(3) 0.3203(3) 0.0406(11) Uani 1 d . . 1 . . .
O3 O 0.4345(3) 0.6559(3) 0.5569(3) 0.0226(8) Uani 1 d . . 1 . . .
O4 O 0.4826(4) 0.8315(3) 0.5510(4) 0.0305(10) Uani 1 d . . 1 . . .
O5 O 0.4973(5) 0.8002(4) -0.2209(4) 0.0413(12) Uani 1 d . . 1 . . .
O6 O 0.5550(4) 0.6290(3) -0.1284(3) 0.0372(11) Uani 1 d . . 1 . . .
O7 O 0.1420(5) 1.1657(4) 0.3191(4) 0.0484(13) Uani 1 d . . 1 . . .
O8 O 0.2655(4) 1.1731(3) 0.4049(4) 0.0373(11) Uani 1 d . . 1 . . .
O9 O 0.2668(4) 0.4423(3) 0.2942(4) 0.0303(9) Uani 1 d . . 1 . . .
O10 O 0.0827(4) 0.3671(4) 0.3129(4) 0.0368(10) Uani 1 d . . 1 . . .
H10 H 0.1225 0.3153 0.2986 0.055 Uiso 1 calc . . 1 R . .
O11 O -0.2834(4) 0.5484(4) 0.4230(4) 0.0371(10) Uani 1 d . . 1 . . .
O12 O -0.2893(4) 0.6918(4) 0.4816(3) 0.0342(10) Uani 1 d . . 1 . . .
C1 C 0.5091(5) 0.6436(5) 0.2645(5) 0.0206(12) Uani 1 d . . 1 . . .
C2 C 0.5075(5) 0.7265(5) 0.1473(5) 0.0234(12) Uani 1 d . . 1 . . .
C3 C 0.5039(6) 0.8520(5) 0.1184(5) 0.0303(14) Uani 1 d . . 1 . . .
H3 H 0.5016 0.8790 0.1733 0.036 Uiso 1 calc . . 1 R . .
C4 C 0.5035(6) 0.9353(5) 0.0128(5) 0.0298(14) Uani 1 d . . 1 . . .
C5 C 0.5096(6) 0.8913(5) -0.0676(5) 0.0345(15) Uani 1 d . . 1 . . .
H5 H 0.5122 0.9456 -0.1409 0.041 Uiso 1 calc . . 1 R . .
C6 C 0.5119(6) 0.7678(5) -0.0421(5) 0.0314(14) Uani 1 d . . 1 . . .
C7 C 0.5207(6) 0.7291(5) -0.1345(5) 0.0305(14) Uani 1 d . . 1 . . .
C8 C 0.5105(5) 0.6850(5) 0.0663(5) 0.0285(13) Uani 1 d . . 1 . . .
H8 H 0.5115 0.6030 0.0841 0.034 Uiso 1 calc . . 1 R . .
C9 C 0.4240(5) 0.7688(5) 0.5281(5) 0.0209(12) Uani 1 d . . 1 . . .
C10 C 0.3356(5) 0.8219(5) 0.4708(5) 0.0223(12) Uani 1 d . . 1 . . .
C11 C 0.3180(5) 0.9418(5) 0.4429(5) 0.0277(13) Uani 1 d . . 1 . . .
H11 H 0.3647 0.9910 0.4555 0.033 Uiso 1 calc . . 1 R . .
C12 C 0.2308(5) 0.9887(5) 0.3962(5) 0.0276(13) Uani 1 d . . 1 . . .
C13 C 0.2113(6) 1.1190(5) 0.3712(5) 0.0298(14) Uani 1 d . . 1 . . .
C14 C 0.1619(5) 0.9166(5) 0.3766(5) 0.0266(13) Uani 1 d . . 1 . . .
H14 H 0.1026 0.9485 0.3468 0.032 Uiso 1 calc . . 1 R . .
C15 C 0.1797(5) 0.7975(5) 0.4006(5) 0.0223(12) Uani 1 d . . 1 . . .
C16 C 0.2657(5) 0.7500(5) 0.4501(5) 0.0249(13) Uani 1 d . . 1 . . .
H16 H 0.2764 0.6691 0.4695 0.030 Uiso 1 calc . . 1 R . .
C17 C 0.1060(5) 0.7167(5) 0.3818(5) 0.0238(12) Uani 1 d . . 1 . . .
C18 C -0.0223(5) 0.7180(5) 0.4067(5) 0.0221(12) Uani 1 d . . 1 . . .
H18 H -0.0625 0.7747 0.4308 0.027 Uiso 1 calc . . 1 R . .
C19 C -0.0896(5) 0.6356(5) 0.3959(5) 0.0203(11) Uani 1 d . . 1 . . .
C20 C -0.2312(5) 0.6269(5) 0.4359(5) 0.0223(12) Uani 1 d . . 1 . . .
C21 C -0.0317(5) 0.5501(5) 0.3594(5) 0.0238(12) Uani 1 d . . 1 . . .
H21 H -0.0774 0.4960 0.3510 0.029 Uiso 1 calc . . 1 R . .
C22 C 0.0943(5) 0.5460(5) 0.3358(5) 0.0210(12) Uani 1 d . . 1 . . .
C23 C 0.1559(5) 0.4461(5) 0.3110(5) 0.0226(12) Uani 1 d . . 1 . . .
C24 C 0.1638(5) 0.6297(5) 0.3454(5) 0.0233(12) Uani 1 d . . 1 . . .
H24 H 0.2489 0.6279 0.3275 0.028 Uiso 1 calc . . 1 R . .


_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 O1 2.591(4) 2_666 ?
Eu1 O1 2.591(4) . ?
Eu1 O2 2.458(4) 2_666 ?
Eu1 O2 2.458(4) . ?
Eu1 O3 2.353(3) . ?
Eu1 O3 2.353(3) 2_666 ?
Eu1 O11 2.317(4) 1_655 ?
Eu1 O11 2.317(4) 2_566 ?
Eu1 C1 2.908(5) . ?
Eu1 C1 2.908(5) 2_666 ?
Eu1 C20 3.168(5) 1_655 ?
Eu1 C20 3.168(5) 2_566 ?
Eu2 Eu1 4.0309(3) 1_565 ?
Eu2 O1W 2.428(4) . ?
Eu2 O1 2.425(4) 1_565 ?
Eu2 O3 2.668(3) 2_676 ?
Eu2 O4 2.466(4) 2_676 ?
Eu2 O5 2.491(4) 2_675 ?
Eu2 O6 2.475(4) 2_675 ?
Eu2 O8 2.352(4) . ?
Eu2 O9 2.417(4) 1_565 ?
Eu2 O12 2.423(4) 2_576 ?
Eu2 C7 2.851(5) 2_675 ?
Eu2 C9 2.939(5) 2_676 ?
O1W H1WA 0.8836 . ?
O1W H1WB 0.8830 . ?
O1 Eu2 2.425(3) 1_545 ?
O1 C1 1.247(6) . ?
O2 C1 1.247(6) . ?
O3 Eu2 2.668(3) 2_676 ?
O3 C9 1.285(6) . ?
O4 Eu2 2.466(4) 2_676 ?
O4 C9 1.244(6) . ?
O5 Eu2 2.491(4) 2_675 ?
O5 C7 1.264(6) . ?
O6 Eu2 2.475(4) 2_675 ?
O6 C7 1.257(6) . ?
O7 C13 1.249(7) . ?
O8 C13 1.246(6) . ?
O9 Eu2 2.417(4) 1_545 ?
O9 C23 1.227(6) . ?
O10 H10 0.8200 . ?
O10 C23 1.292(6) . ?
O11 Eu1 2.317(4) 1_455 ?
O11 C20 1.257(6) . ?
O12 Eu2 2.423(4) 2_576 ?
O12 C20 1.242(6) . ?
C1 C2 1.502(7) . ?
C2 C3 1.421(7) . ?
C2 C8 1.386(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.376(7) . ?
C4 C4 1.480(10) 2_675 ?
C4 C5 1.391(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.403(8) . ?
C6 C7 1.492(8) . ?
C6 C8 1.395(8) . ?
C7 Eu2 2.851(5) 2_675 ?
C8 H8 0.9300 . ?
C9 Eu2 2.939(5) 2_676 ?
C9 C10 1.502(7) . ?
C10 C11 1.383(7) . ?
C10 C16 1.395(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.389(7) . ?
C12 C13 1.514(7) . ?
C12 C14 1.378(7) . ?
C14 H14 0.9300 . ?
C14 C15 1.383(7) . ?
C15 C16 1.399(7) . ?
C15 C17 1.487(7) . ?
C16 H16 0.9300 . ?
C17 C18 1.404(7) . ?
C17 C24 1.409(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.383(7) . ?
C19 C20 1.521(7) . ?
C19 C21 1.393(7) . ?
C20 Eu1 3.168(5) 1_455 ?
C21 H21 0.9300 . ?
C21 C22 1.384(7) . ?
C22 C23 1.497(7) . ?
C22 C24 1.402(7) . ?
C24 H24 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
O1 Eu1 O1 180.000(1) 2_666 . ?
O1 Eu1 C1 154.62(12) . 2_666 ?
O1 Eu1 C1 154.62(12) 2_666 . ?
O1 Eu1 C1 25.38(12) 2_666 2_666 ?
O1 Eu1 C1 25.38(12) . . ?
O1 Eu1 C20 69.88(13) . 2_566 ?
O1 Eu1 C20 110.12(13) . 1_655 ?
O1 Eu1 C20 110.12(13) 2_666 2_566 ?
O1 Eu1 C20 69.88(13) 2_666 1_655 ?
O2 Eu1 O1 129.50(12) . 2_666 ?
O2 Eu1 O1 50.50(12) 2_666 2_666 ?
O2 Eu1 O1 129.50(12) 2_666 . ?
O2 Eu1 O1 50.50(12) . . ?
O2 Eu1 O2 180.0(3) 2_666 . ?
O2 Eu1 C1 154.88(13) 2_666 . ?
O2 Eu1 C1 25.12(13) . . ?
O2 Eu1 C1 154.88(13) . 2_666 ?
O2 Eu1 C1 25.12(13) 2_666 2_666 ?
O2 Eu1 C20 76.71(14) 2_666 2_566 ?
O2 Eu1 C20 76.71(14) . 1_655 ?
O2 Eu1 C20 103.29(14) 2_666 1_655 ?
O2 Eu1 C20 103.29(14) . 2_566 ?
O3 Eu1 O1 113.09(12) . . ?
O3 Eu1 O1 113.09(12) 2_666 2_666 ?
O3 Eu1 O1 66.91(12) 2_666 . ?
O3 Eu1 O1 66.91(12) . 2_666 ?
O3 Eu1 O2 72.06(13) . . ?
O3 Eu1 O2 107.94(13) . 2_666 ?
O3 Eu1 O2 107.94(13) 2_666 . ?
O3 Eu1 O2 72.06(13) 2_666 2_666 ?
O3 Eu1 O3 180.000(1) . 2_666 ?
O3 Eu1 C1 87.59(13) 2_666 . ?
O3 Eu1 C1 87.59(13) . 2_666 ?
O3 Eu1 C1 92.41(13) 2_666 2_666 ?
O3 Eu1 C1 92.41(13) . . ?
O3 Eu1 C20 82.23(13) . 1_655 ?
O3 Eu1 C20 82.23(13) 2_666 2_566 ?
O3 Eu1 C20 97.77(13) . 2_566 ?
O3 Eu1 C20 97.77(13) 2_666 1_655 ?
O11 Eu1 O1 98.80(14) 1_655 . ?
O11 Eu1 O1 98.80(14) 2_566 2_666 ?
O11 Eu1 O1 81.20(14) 1_655 2_666 ?
O11 Eu1 O1 81.20(14) 2_566 . ?
O11 Eu1 O2 100.58(15) 2_566 . ?
O11 Eu1 O2 79.42(15) 1_655 . ?
O11 Eu1 O2 100.58(15) 1_655 2_666 ?
O11 Eu1 O2 79.42(15) 2_566 2_666 ?
O11 Eu1 O3 78.47(13) 2_566 . ?
O11 Eu1 O3 78.47(13) 1_655 2_666 ?
O11 Eu1 O3 101.53(13) 1_655 . ?
O11 Eu1 O3 101.53(13) 2_566 2_666 ?
O11 Eu1 O11 180.0(5) 2_566 1_655 ?
O11 Eu1 C1 89.21(15) 1_655 . ?
O11 Eu1 C1 89.21(15) 2_566 2_666 ?
O11 Eu1 C1 90.79(15) 1_655 2_666 ?
O11 Eu1 C1 90.79(15) 2_566 . ?
O11 Eu1 C20 19.66(13) 1_655 1_655 ?
O11 Eu1 C20 19.66(13) 2_566 2_566 ?
O11 Eu1 C20 160.34(13) 2_566 1_655 ?
O11 Eu1 C20 160.34(13) 1_655 2_566 ?
C1 Eu1 C1 180.00(14) 2_666 . ?
C1 Eu1 C20 86.28(14) 2_666 1_655 ?
C1 Eu1 C20 86.28(14) . 2_566 ?
C1 Eu1 C20 93.72(14) 2_666 2_566 ?
C1 Eu1 C20 93.72(14) . 1_655 ?
C20 Eu1 C20 180.0 1_655 2_566 ?
O1W Eu2 Eu1 84.70(10) . 1_565 ?
O1W Eu2 O3 69.54(13) . 2_676 ?
O1W Eu2 O4 83.59(15) . 2_676 ?
O1W Eu2 O5 72.59(15) . 2_675 ?
O1W Eu2 O6 74.83(15) . 2_675 ?
O1W Eu2 C7 73.07(16) . 2_675 ?
O1W Eu2 C9 73.67(15) . 2_676 ?
O1 Eu2 Eu1 37.95(9) 1_565 1_565 ?
O1 Eu2 O1W 73.89(15) 1_565 . ?
O1 Eu2 O3 64.69(11) 1_565 2_676 ?
O1 Eu2 O4 115.16(12) 1_565 2_676 ?
O1 Eu2 O5 143.08(15) 1_565 2_675 ?
O1 Eu2 O6 103.83(13) 1_565 2_675 ?
O1 Eu2 C7 126.07(15) 1_565 2_675 ?
O1 Eu2 C9 90.56(13) 1_565 2_676 ?
O3 Eu2 Eu1 34.01(7) 2_676 1_565 ?
O3 Eu2 C7 135.16(15) 2_676 2_675 ?
O3 Eu2 C9 25.93(12) 2_676 2_676 ?
O4 Eu2 Eu1 80.93(8) 2_676 1_565 ?
O4 Eu2 O3 50.47(11) 2_676 2_676 ?
O4 Eu2 O5 75.87(12) 2_676 2_675 ?
O4 Eu2 O6 127.61(12) 2_676 2_675 ?
O4 Eu2 C7 102.05(14) 2_676 2_675 ?
O4 Eu2 C9 24.67(12) 2_676 2_676 ?
O5 Eu2 Eu1 148.98(10) 2_675 1_565 ?
O5 Eu2 O3 115.88(12) 2_675 2_676 ?
O5 Eu2 C7 26.29(14) 2_675 2_675 ?
O5 Eu2 C9 94.51(13) 2_675 2_676 ?
O6 Eu2 Eu1 141.21(9) 2_675 1_565 ?
O6 Eu2 O3 144.32(14) 2_675 2_676 ?
O6 Eu2 O5 52.33(12) 2_675 2_675 ?
O6 Eu2 C7 26.10(14) 2_675 2_675 ?
O6 Eu2 C9 139.92(14) 2_675 2_676 ?
O8 Eu2 Eu1 125.68(10) . 1_565 ?
O8 Eu2 O1W 144.32(15) . . ?
O8 Eu2 O1 141.27(14) . 1_565 ?
O8 Eu2 O3 123.69(13) . 2_676 ?
O8 Eu2 O4 83.62(13) . 2_676 ?
O8 Eu2 O5 72.02(15) . 2_675 ?
O8 Eu2 O6 87.14(15) . 2_675 ?
O8 Eu2 O9 77.68(13) . 1_565 ?
O8 Eu2 O12 71.12(14) . 2_576 ?
O8 Eu2 C7 77.29(16) . 2_675 ?
O8 Eu2 C9 104.76(14) . 2_676 ?
O9 Eu2 Eu1 93.92(8) 1_565 1_565 ?
O9 Eu2 O1W 122.88(15) 1_565 . ?
O9 Eu2 O1 71.22(13) 1_565 1_565 ?
O9 Eu2 O3 127.85(11) 1_565 2_676 ?
O9 Eu2 O4 152.67(14) 1_565 2_676 ?
O9 Eu2 O5 116.01(13) 1_565 2_675 ?
O9 Eu2 O6 71.52(13) 1_565 2_675 ?
O9 Eu2 O12 74.18(13) 1_565 2_576 ?
O9 Eu2 C7 93.15(15) 1_565 2_675 ?
O9 Eu2 C9 147.97(13) 1_565 2_676 ?
O12 Eu2 Eu1 55.17(10) 2_576 1_565 ?
O12 Eu2 O1W 138.71(14) 2_576 . ?
O12 Eu2 O1 78.52(14) 2_576 1_565 ?
O12 Eu2 O3 71.11(12) 2_576 2_676 ?
O12 Eu2 O4 81.03(13) 2_576 2_676 ?
O12 Eu2 O5 138.16(14) 2_576 2_675 ?
O12 Eu2 O6 142.53(14) 2_576 2_675 ?
O12 Eu2 C7 147.75(16) 2_576 2_675 ?
O12 Eu2 C9 76.53(14) 2_576 2_676 ?
C7 Eu2 Eu1 156.96(12) 2_675 1_565 ?
C7 Eu2 C9 118.72(15) 2_675 2_676 ?
C9 Eu2 Eu1 58.18(9) 2_676 1_565 ?
Eu2 O1W H1WA 125.4 . . ?
Eu2 O1W H1WB 125.4 . . ?
H1WA O1W H1WB 109.3 . . ?
Eu2 O1 Eu1 106.92(13) 1_545 . ?
C1 O1 Eu1 91.7(3) . . ?
C1 O1 Eu2 160.4(4) . 1_545 ?
C1 O2 Eu1 98.1(3) . . ?
Eu1 O3 Eu2 106.63(12) . 2_676 ?
C9 O3 Eu1 149.4(3) . . ?
C9 O3 Eu2 88.9(3) . 2_676 ?
C9 O4 Eu2 99.5(3) . 2_676 ?
C7 O5 Eu2 92.9(3) . 2_675 ?
C7 O6 Eu2 93.9(3) . 2_675 ?
C13 O8 Eu2 139.7(4) . . ?
C23 O9 Eu2 150.9(4) . 1_545 ?
C23 O10 H10 109.5 . . ?
C20 O11 Eu1 122.0(3) . 1_455 ?
C20 O12 Eu2 138.6(4) . 2_576 ?
O1 C1 Eu1 62.9(3) . . ?
O1 C1 C2 121.0(5) . . ?
O2 C1 Eu1 56.8(3) . . ?
O2 C1 O1 119.8(5) . . ?
O2 C1 C2 119.1(5) . . ?
C2 C1 Eu1 174.3(3) . . ?
C3 C2 C1 118.5(4) . . ?
C8 C2 C1 122.4(5) . . ?
C8 C2 C3 119.1(5) . . ?
C2 C3 H3 118.6 . . ?
C4 C3 C2 122.8(5) . . ?
C4 C3 H3 118.6 . . ?
C3 C4 C4 121.2(6) . 2_675 ?
C3 C4 C5 116.6(5) . . ?
C5 C4 C4 122.2(6) . 2_675 ?
C4 C5 H5 118.8 . . ?
C4 C5 C6 122.4(5) . . ?
C6 C5 H5 118.8 . . ?
C5 C6 C7 118.7(5) . . ?
C8 C6 C5 119.8(5) . . ?
C8 C6 C7 121.4(5) . . ?
O5 C7 Eu2 60.8(3) . 2_675 ?
O5 C7 C6 119.0(5) . . ?
O6 C7 Eu2 60.0(3) . 2_675 ?
O6 C7 O5 120.6(5) . . ?
O6 C7 C6 120.4(5) . . ?
C6 C7 Eu2 173.3(4) . 2_675 ?
C2 C8 C6 119.2(5) . . ?
C2 C8 H8 120.4 . . ?
C6 C8 H8 120.4 . . ?
O3 C9 Eu2 65.2(3) . 2_676 ?
O3 C9 C10 118.6(4) . . ?
O4 C9 Eu2 55.9(3) . 2_676 ?
O4 C9 O3 120.6(5) . . ?
O4 C9 C10 120.8(4) . . ?
C10 C9 Eu2 170.4(4) . 2_676 ?
C11 C10 C9 120.2(5) . . ?
C11 C10 C16 119.1(5) . . ?
C16 C10 C9 120.7(5) . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.1(5) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C13 118.3(5) . . ?
C14 C12 C11 120.3(5) . . ?
C14 C12 C13 121.4(5) . . ?
O7 C13 C12 118.8(5) . . ?
O8 C13 O7 123.8(5) . . ?
O8 C13 C12 117.4(5) . . ?
C12 C14 H14 119.5 . . ?
C12 C14 C15 120.9(5) . . ?
C15 C14 H14 119.5 . . ?
C14 C15 C16 118.4(5) . . ?
C14 C15 C17 122.3(5) . . ?
C16 C15 C17 119.2(4) . . ?
C10 C16 C15 121.1(5) . . ?
C10 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C18 C17 C15 122.4(4) . . ?
C18 C17 C24 118.2(5) . . ?
C24 C17 C15 119.3(5) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.6(5) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 C20 120.8(4) . . ?
C18 C19 C21 120.9(5) . . ?
C21 C19 C20 118.0(4) . . ?
O11 C20 Eu1 38.3(3) . 1_455 ?
O11 C20 C19 115.7(5) . . ?
O12 C20 Eu1 85.5(3) . 1_455 ?
O12 C20 O11 123.7(5) . . ?
O12 C20 C19 120.6(5) . . ?
C19 C20 Eu1 153.3(3) . 1_455 ?
C19 C21 H21 120.2 . . ?
C22 C21 C19 119.6(5) . . ?
C22 C21 H21 120.2 . . ?
C21 C22 C23 121.1(5) . . ?
C21 C22 C24 120.0(5) . . ?
C24 C22 C23 118.6(5) . . ?
O9 C23 O10 125.5(5) . . ?
O9 C23 C22 119.8(5) . . ?
O10 C23 C22 114.7(5) . . ?
C17 C24 H24 119.7 . . ?
C22 C24 C17 120.7(5) . . ?
C22 C24 H24 119.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 Eu2 O8 C13 165.7(5) 1_565 . . . ?
Eu1 O1 C1 O2 1.0(5) . . . . ?
Eu1 O1 C1 C2 -175.4(4) . . . . ?
Eu1 O2 C1 O1 -1.1(6) . . . . ?
Eu1 O2 C1 C2 175.4(4) . . . . ?
Eu1 O3 C9 Eu2 -122.0(6) . . . 2_676 ?
Eu1 O3 C9 O4 -114.6(6) . . . . ?
Eu1 O3 C9 C10 67.9(8) . . . . ?
Eu1 O11 C20 O12 -6.1(7) 1_455 . . . ?
Eu1 O11 C20 C19 171.6(3) 1_455 . . . ?
Eu1 C1 C2 C3 26(4) . . . . ?
Eu1 C1 C2 C8 -155(3) . . . . ?
Eu2 O1 C1 Eu1 -161.7(11) 1_545 . . . ?
Eu2 O1 C1 O2 -160.6(8) 1_545 . . . ?
Eu2 O1 C1 C2 22.9(14) 1_545 . . . ?
Eu2 O3 C9 O4 7.4(5) 2_676 . . . ?
Eu2 O3 C9 C10 -170.1(4) 2_676 . . . ?
Eu2 O4 C9 O3 -8.1(6) 2_676 . . . ?
Eu2 O4 C9 C10 169.4(4) 2_676 . . . ?
Eu2 O5 C7 O6 -5.2(6) 2_675 . . . ?
Eu2 O5 C7 C6 172.3(5) 2_675 . . . ?
Eu2 O6 C7 O5 5.3(6) 2_675 . . . ?
Eu2 O6 C7 C6 -172.2(5) 2_675 . . . ?
Eu2 O8 C13 O7 -71.9(9) . . . . ?
Eu2 O8 C13 C12 108.6(6) . . . . ?
Eu2 O9 C23 O10 -41.1(11) 1_545 . . . ?
Eu2 O9 C23 C22 136.6(6) 1_545 . . . ?
Eu2 O12 C20 Eu1 65.5(5) 2_576 . . 1_455 ?
Eu2 O12 C20 O11 69.3(8) 2_576 . . . ?
Eu2 O12 C20 C19 -108.4(6) 2_576 . . . ?
Eu2 C9 C10 C11 66(2) 2_676 . . . ?
Eu2 C9 C10 C16 -110(2) 2_676 . . . ?
O1W Eu2 O8 C13 -50.7(7) . . . . ?
O1 Eu1 O1 Eu2 -154(100) 2_666 . . 1_545 ?
O1 Eu1 O1 C1 32(100) 2_666 . . . ?
O1 Eu1 O2 C1 -179.4(3) 2_666 . . . ?
O1 Eu1 O2 C1 0.6(3) . . . . ?
O1 Eu1 O3 Eu2 -151.88(13) . . . 2_676 ?
O1 Eu1 O3 Eu2 28.12(13) 2_666 . . 2_676 ?
O1 Eu1 O3 C9 -34.1(7) . . . . ?
O1 Eu1 O3 C9 145.9(7) 2_666 . . . ?
O1 Eu1 C1 O1 180.000(2) 2_666 . . . ?
O1 Eu1 C1 O2 -178.9(5) . . . . ?
O1 Eu1 C1 O2 1.1(5) 2_666 . . . ?
O1 Eu1 C1 C2 -44(4) 2_666 . . . ?
O1 Eu1 C1 C2 136(4) . . . . ?
O1 Eu2 O8 C13 116.7(6) 1_565 . . . ?
O1 C1 C2 C3 159.4(5) . . . . ?
O1 C1 C2 C8 -21.1(8) . . . . ?
O2 Eu1 O1 Eu2 -6.9(3) 2_666 . . 1_545 ?
O2 Eu1 O1 Eu2 173.1(3) . . . 1_545 ?
O2 Eu1 O1 C1 -0.6(3) . . . . ?
O2 Eu1 O1 C1 179.4(3) 2_666 . . . ?
O2 Eu1 O2 C1 -26(100) 2_666 . . . ?
O2 Eu1 O3 Eu2 58.24(17) 2_666 . . 2_676 ?
O2 Eu1 O3 Eu2 -121.76(17) . . . 2_676 ?
O2 Eu1 O3 C9 -4.0(6) . . . . ?
O2 Eu1 O3 C9 176.0(6) 2_666 . . . ?
O2 Eu1 C1 O1 178.9(5) . . . . ?
O2 Eu1 C1 O1 -1.1(5) 2_666 . . . ?
O2 Eu1 C1 O2 180.000(2) 2_666 . . . ?
O2 Eu1 C1 C2 135(4) 2_666 . . . ?
O2 Eu1 C1 C2 -45(4) . . . . ?
O2 C1 C2 C3 -17.1(8) . . . . ?
O2 C1 C2 C8 162.4(5) . . . . ?
O3 Eu1 O1 Eu2 31.29(14) 2_666 . . 1_545 ?
O3 Eu1 O1 Eu2 -148.71(14) . . . 1_545 ?
O3 Eu1 O1 C1 -142.4(3) 2_666 . . . ?
O3 Eu1 O1 C1 37.6(3) . . . . ?
O3 Eu1 O2 C1 -142.6(4) . . . . ?
O3 Eu1 O2 C1 37.4(4) 2_666 . . . ?
O3 Eu1 O3 Eu2 -155(100) 2_666 . . 2_676 ?
O3 Eu1 O3 C9 -38(100) 2_666 . . . ?
O3 Eu1 C1 O1 -145.8(3) . . . . ?
O3 Eu1 C1 O1 34.2(3) 2_666 . . . ?
O3 Eu1 C1 O2 -144.7(4) 2_666 . . . ?
O3 Eu1 C1 O2 35.3(4) . . . . ?
O3 Eu1 C1 C2 -10(4) . . . . ?
O3 Eu1 C1 C2 170(4) 2_666 . . . ?
O3 Eu2 O8 C13 -152.7(5) 2_676 . . . ?
O3 C9 C10 C11 177.4(5) . . . . ?
O3 C9 C10 C16 0.5(8) . . . . ?
O4 Eu2 O8 C13 -120.3(6) 2_676 . . . ?
O4 C9 C10 C11 -0.2(8) . . . . ?
O4 C9 C10 C16 -177.1(5) . . . . ?
O5 Eu2 O8 C13 -43.1(6) 2_675 . . . ?
O6 Eu2 O8 C13 8.0(6) 2_675 . . . ?
O9 Eu2 O8 C13 79.8(6) 1_565 . . . ?
O11 Eu1 O1 Eu2 104.68(16) 1_655 . . 1_545 ?
O11 Eu1 O1 Eu2 -75.32(16) 2_566 . . 1_545 ?
O11 Eu1 O1 C1 111.0(3) 2_566 . . . ?
O11 Eu1 O1 C1 -69.0(3) 1_655 . . . ?
O11 Eu1 O2 C1 -68.6(4) 2_566 . . . ?
O11 Eu1 O2 C1 111.4(4) 1_655 . . . ?
O11 Eu1 O3 Eu2 -47.01(16) 1_655 . . 2_676 ?
O11 Eu1 O3 Eu2 132.99(16) 2_566 . . 2_676 ?
O11 Eu1 O3 C9 -109.3(7) 2_566 . . . ?
O11 Eu1 O3 C9 70.7(7) 1_655 . . . ?
O11 Eu1 C1 O1 112.7(3) 1_655 . . . ?
O11 Eu1 C1 O1 -67.3(3) 2_566 . . . ?
O11 Eu1 C1 O2 113.8(4) 2_566 . . . ?
O11 Eu1 C1 O2 -66.2(4) 1_655 . . . ?
O11 Eu1 C1 C2 69(4) 2_566 . . . ?
O11 Eu1 C1 C2 -111(4) 1_655 . . . ?
O12 Eu2 O8 C13 157.0(6) 2_576 . . . ?
C1 Eu1 O1 Eu2 173.7(4) . . . 1_545 ?
C1 Eu1 O1 Eu2 -6.3(4) 2_666 . . 1_545 ?
C1 Eu1 O1 C1 180.000(2) 2_666 . . . ?
C1 Eu1 O2 C1 180.000(2) 2_666 . . . ?
C1 Eu1 O3 Eu2 -136.70(15) . . . 2_676 ?
C1 Eu1 O3 Eu2 43.30(15) 2_666 . . 2_676 ?
C1 Eu1 O3 C9 -19.0(7) . . . . ?
C1 Eu1 O3 C9 161.0(7) 2_666 . . . ?
C1 Eu1 C1 O1 88(100) 2_666 . . . ?
C1 Eu1 C1 O2 -91(100) 2_666 . . . ?
C1 Eu1 C1 C2 -136(100) 2_666 . . . ?
C1 C2 C3 C4 179.3(5) . . . . ?
C1 C2 C8 C6 -178.4(5) . . . . ?
C2 C3 C4 C4 178.5(7) . . . 2_675 ?
C2 C3 C4 C5 -1.3(9) . . . . ?
C3 C2 C8 C6 1.1(8) . . . . ?
C3 C4 C5 C6 2.0(10) . . . . ?
C4 C4 C5 C6 -177.8(7) 2_675 . . . ?
C4 C5 C6 C7 -179.0(6) . . . . ?
C4 C5 C6 C8 -1.2(10) . . . . ?
C5 C6 C7 Eu2 70(4) . . . 2_675 ?
C5 C6 C7 O5 -15.8(9) . . . . ?
C5 C6 C7 O6 161.7(6) . . . . ?
C5 C6 C8 C2 -0.4(9) . . . . ?
C7 Eu2 O8 C13 -16.4(6) 2_675 . . . ?
C7 C6 C8 C2 177.3(5) . . . . ?
C8 C2 C3 C4 -0.2(9) . . . . ?
C8 C6 C7 Eu2 -108(3) . . . 2_675 ?
C8 C6 C7 O5 166.4(6) . . . . ?
C8 C6 C7 O6 -16.1(9) . . . . ?
C9 Eu2 O8 C13 -133.1(6) 2_676 . . . ?
C9 C10 C11 C12 -176.3(5) . . . . ?
C9 C10 C16 C15 177.7(5) . . . . ?
C10 C11 C12 C13 177.8(5) . . . . ?
C10 C11 C12 C14 -0.4(9) . . . . ?
C11 C10 C16 C15 0.7(8) . . . . ?
C11 C12 C13 O7 173.4(6) . . . . ?
C11 C12 C13 O8 -7.0(9) . . . . ?
C11 C12 C14 C15 -1.3(9) . . . . ?
C12 C14 C15 C16 2.7(9) . . . . ?
C12 C14 C15 C17 179.3(5) . . . . ?
C13 C12 C14 C15 -179.5(5) . . . . ?
C14 C12 C13 O7 -8.4(9) . . . . ?
C14 C12 C13 O8 171.2(6) . . . . ?
C14 C15 C16 C10 -2.4(8) . . . . ?
C14 C15 C17 C18 -38.4(8) . . . . ?
C14 C15 C17 C24 146.0(6) . . . . ?
C15 C17 C18 C19 -175.5(5) . . . . ?
C15 C17 C24 C22 175.0(5) . . . . ?
C16 C10 C11 C12 0.7(9) . . . . ?
C16 C15 C17 C18 138.1(6) . . . . ?
C16 C15 C17 C24 -37.5(8) . . . . ?
C17 C15 C16 C10 -179.1(5) . . . . ?
C17 C18 C19 C20 173.0(5) . . . . ?
C17 C18 C19 C21 -0.4(8) . . . . ?
C18 C17 C24 C22 -0.8(8) . . . . ?
C18 C19 C20 Eu1 -167.9(5) . . . 1_455 ?
C18 C19 C20 O11 -179.5(5) . . . . ?
C18 C19 C20 O12 -1.7(8) . . . . ?
C18 C19 C21 C22 1.2(8) . . . . ?
C19 C21 C22 C23 172.4(5) . . . . ?
C19 C21 C22 C24 -1.8(8) . . . . ?
C20 Eu1 O1 Eu2 -58.68(15) 2_566 . . 1_545 ?
C20 Eu1 O1 Eu2 121.32(15) 1_655 . . 1_545 ?
C20 Eu1 O1 C1 -52.3(3) 1_655 . . . ?
C20 Eu1 O1 C1 127.7(3) 2_566 . . . ?
C20 Eu1 O2 C1 -48.7(4) 2_566 . . . ?
C20 Eu1 O2 C1 131.3(4) 1_655 . . . ?
C20 Eu1 O3 Eu2 136.73(14) 2_566 . . 2_676 ?
C20 Eu1 O3 Eu2 -43.27(14) 1_655 . . 2_676 ?
C20 Eu1 O3 C9 -105.5(7) 2_566 . . . ?
C20 Eu1 O3 C9 74.5(7) 1_655 . . . ?
C20 Eu1 C1 O1 -48.2(3) 2_566 . . . ?
C20 Eu1 C1 O1 131.8(3) 1_655 . . . ?
C20 Eu1 C1 O2 -47.1(4) 1_655 . . . ?
C20 Eu1 C1 O2 132.9(4) 2_566 . . . ?
C20 Eu1 C1 C2 -92(4) 1_655 . . . ?
C20 Eu1 C1 C2 88(4) 2_566 . . . ?
C20 C19 C21 C22 -172.4(5) . . . . ?
C21 C19 C20 Eu1 5.7(11) . . . 1_455 ?
C21 C19 C20 O11 -5.9(7) . . . . ?
C21 C19 C20 O12 171.9(5) . . . . ?
C21 C22 C23 O9 -177.5(5) . . . . ?
C21 C22 C23 O10 0.4(7) . . . . ?
C21 C22 C24 C17 1.6(8) . . . . ?
C23 C22 C24 C17 -172.7(5) . . . . ?
C24 C17 C18 C19 0.2(8) . . . . ?
C24 C22 C23 O9 -3.3(8) . . . . ?
C24 C22 C23 O10 174.7(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 -0.002 0.000 618 118 ' '
_platon_squeeze_details          
;
;

