#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/67/4336798.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4336798
loop_
_publ_author_name
'Bin Zhang'
'Ting Xiao'
'Chunmei Liu'
'Qian Li'
'Yanyan Zhu'
'Mingsheng Tang'
'Chenxia Du'
'Maoping Song'
_publ_section_title
;
 Systematic Study of the Luminescent Europium-Based Nonanuclear Clusters
 with Modified 2-Hydroxybenzophenone Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13332
_journal_page_last               13340
_journal_paper_doi               10.1021/ic401191e
_journal_volume                  52
_journal_year                    2013
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C112 H80 Eu4.5 F8 O21'
_chemical_formula_sum            'C112 H80 Eu4.5 F8 O21'
_chemical_formula_weight         2597.58
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           92
_space_group_name_Hall           'P 4abw 2nw'
_space_group_name_H-M_alt        'P 41 21 2'
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-04-27
_audit_creation_method
;
  Olex2 1.1
  (compiled 2011.11.01 svn.r2039, GUI svn.r3906)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   26.3718(3)
_cell_length_b                   26.3718(3)
_cell_length_c                   36.6258(6)
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      2.90
_cell_volume                     25472.2(6)
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291.15
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0686
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            57771
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.89
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.253
_exptl_absorpt_correction_T_max  0.8061
_exptl_absorpt_correction_T_min  0.6614
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             10204
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.637
_refine_diff_density_min         -0.735
_refine_diff_density_rms         0.083
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.095(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1320
_refine_ls_number_reflns         25812
_refine_ls_number_restraints     131
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0317P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0805
_refine_ls_wR_factor_ref         0.0875
_reflns_number_gt                20378
_reflns_number_total             25812
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401191e_si_005.cif
_cod_data_source_block           p41212
_cod_original_cell_volume        25472.3(6)
_cod_original_formula_sum        'C112 H80 Eu4.50 F8 O21'
_cod_database_code               4336798
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-y+1/2, x+1/2, z+1/4'
3 '-x, -y, z+1/2'
4 'y+1/2, -x+1/2, z+3/4'
5 'x+1/2, -y+1/2, -z+3/4'
6 '-x+1/2, y+1/2, -z+1/4'
7 'y, x, -z'
8 '-y, -x, -z+1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Eu1 Eu 0.569721(11) 0.680314(11) 0.040717(8) 0.03843(7) Uani 1 1 d .
Eu2 Eu 0.665093(11) 0.585227(11) 0.056533(8) 0.03878(7) Uani 1 1 d .
Eu3 Eu 0.475491(11) 0.490254(12) 0.068917(9) 0.04639(8) Uani 1 1 d .
Eu4 Eu 0.550710(12) 0.414700(11) 0.007046(9) 0.04653(8) Uani 1 1 d .
Eu5 Eu 0.554003(10) 0.554003(10) 0.0000 0.03690(9) Uani 1 2 d S
F1 F 0.3741(2) 0.6652(2) 0.15818(15) 0.122(2) Uani 1 1 d .
F2 F 0.81083(19) 0.7506(2) 0.08339(18) 0.139(2) Uani 1 1 d .
F3 F 0.87141(17) 0.68499(19) -0.03580(15) 0.1027(16) Uani 1 1 d .
F4 F 0.6636(2) 0.36056(17) 0.14493(15) 0.126(2) Uani 1 1 d .
F5 F 0.5441(3) 0.64325(19) 0.21034(13) 0.129(2) Uani 1 1 d .
F6 F 0.2302(2) 0.4359(3) 0.0146(2) 0.189(3) Uani 1 1 d .
F7 F 0.3415(2) 0.3320(3) 0.1060(3) 0.210(4) Uani 1 1 d .
F8 F 0.79285(19) 0.3791(2) 0.06559(16) 0.119(2) Uani 1 1 d .
O1 O 0.49179(16) 0.66235(16) 0.06379(13) 0.0608(12) Uani 1 1 d .
O2 O 0.51931(17) 0.75352(16) 0.03689(13) 0.0670(13) Uani 1 1 d .
O3 O 0.65391(15) 0.67357(14) 0.06438(11) 0.0492(11) Uani 1 1 d .
O4 O 0.57497(18) 0.7191(2) 0.09833(13) 0.0773(15) Uani 1 1 d .
O5 O 0.72765(14) 0.60201(15) 0.01021(11) 0.0473(10) Uani 1 1 d .
O6 O 0.74369(17) 0.5487(2) 0.07259(14) 0.0784(16) Uani 1 1 d .
O7 O 0.63758(16) 0.51504(17) 0.08669(12) 0.0591(12) Uani 1 1 d .
O8 O 0.6750(2) 0.59872(17) 0.11963(13) 0.0706(14) Uani 1 1 d .
O9 O 0.51913(17) 0.54235(16) 0.10700(12) 0.0577(12) Uani 1 1 d .
O10 O 0.49867(19) 0.44346(18) 0.12033(13) 0.0729(14) Uani 1 1 d .
O11 O 0.39347(16) 0.49394(17) 0.04102(13) 0.0656(13) Uani 1 1 d .
O12 O 0.41306(19) 0.5070(2) 0.11327(15) 0.0892(17) Uani 1 1 d .
O13 O 0.48435(17) 0.40232(15) 0.05020(12) 0.0611(12) Uani 1 1 d .
O14 O 0.5635(2) 0.3395(2) 0.04157(16) 0.0909(18) Uani 1 1 d .
O15 O 0.63571(15) 0.42442(16) 0.01567(13) 0.0595(13) Uani 1 1 d .
O16 O 0.59296(19) 0.35563(18) -0.03110(14) 0.0741(15) Uani 1 1 d .
O17 O 0.57819(14) 0.59576(13) 0.05629(10) 0.0439(10) Uani 1 1 d .
O18 O 0.53162(14) 0.64300(13) -0.00903(10) 0.0406(9) Uani 1 1 d .
O19 O 0.63130(14) 0.63130(14) 0.0000 0.0448(14) Uani 1 2 d S
O20 O 0.55549(15) 0.48552(14) 0.04409(11) 0.0496(10) Uani 1 1 d .
O21 O 0.47627(15) 0.47627(15) 0.0000 0.0545(16) Uani 1 2 d S
O22 O 0.47676(14) 0.56471(15) 0.03566(11) 0.0508(11) Uani 1 1 d .
C1 C 0.4595(3) 0.6886(2) 0.08266(18) 0.0559(18) Uani 1 1 d .
C2 C 0.4309(3) 0.6638(3) 0.1104(2) 0.069(2) Uani 1 1 d .
H2 H 0.4340 0.6289 0.1134 0.083 Uiso 1 1 calc R
C3 C 0.4005(3) 0.6894(3) 0.1317(2) 0.085(3) Uani 1 1 d .
C4 C 0.3933(3) 0.7406(4) 0.1297(3) 0.096(3) Uani 1 1 d .
H4 H 0.3715 0.7573 0.1457 0.115 Uiso 1 1 calc R
C5 C 0.4193(3) 0.7665(3) 0.1033(2) 0.078(2) Uani 1 1 d .
H5 H 0.4151 0.8014 0.1010 0.094 Uiso 1 1 calc R
C6 C 0.4531(3) 0.7403(3) 0.07898(19) 0.0612(19) Uani 1 1 d .
C7 C 0.4807(2) 0.7700(2) 0.05170(18) 0.0542(17) Uani 1 1 d .
C8 C 0.4659(3) 0.8226(3) 0.0417(2) 0.0631(19) Uani 1 1 d .
C9 C 0.4165(3) 0.8341(3) 0.0323(2) 0.091(3) Uani 1 1 d .
H9 H 0.3913 0.8096 0.0346 0.109 Uiso 1 1 calc R
C10 C 0.4042(4) 0.8825(4) 0.0194(3) 0.118(4) Uani 1 1 d .
H10 H 0.3719 0.8895 0.0104 0.142 Uiso 1 1 calc R
C11 C 0.4418(5) 0.9206(4) 0.0202(3) 0.114(3) Uani 1 1 d DU
C12 C 0.4913(4) 0.9079(3) 0.0289(3) 0.094(3) Uani 1 1 d .
H12 H 0.5170 0.9320 0.0279 0.113 Uiso 1 1 calc R
C13 C 0.5014(3) 0.8596(3) 0.0388(2) 0.073(2) Uani 1 1 d .
H13 H 0.5349 0.8512 0.0440 0.087 Uiso 1 1 calc R
C14 C 0.4297(5) 0.9753(3) 0.0078(4) 0.169(5) Uani 1 1 d DU
H14A H 0.3939 0.9785 0.0036 0.253 Uiso 1 1 calc R
H14B H 0.4477 0.9825 -0.0144 0.253 Uiso 1 1 calc R
H14C H 0.4400 0.9987 0.0264 0.253 Uiso 1 1 calc R
C15 C 0.6814(2) 0.7068(2) 0.08336(18) 0.0544(17) Uani 1 1 d .
C16 C 0.7339(3) 0.7102(3) 0.0749(2) 0.069(2) Uani 1 1 d .
H16 H 0.7484 0.6895 0.0572 0.083 Uiso 1 1 calc R
C17 C 0.7627(3) 0.7451(4) 0.0935(3) 0.099(3) Uani 1 1 d .
C18 C 0.7441(4) 0.7764(3) 0.1192(3) 0.100(3) Uani 1 1 d .
H18 H 0.7650 0.7999 0.1306 0.120 Uiso 1 1 calc R
C19 C 0.6930(3) 0.7731(3) 0.1282(2) 0.082(3) Uani 1 1 d .
H19 H 0.6795 0.7951 0.1455 0.098 Uiso 1 1 calc R
C20 C 0.6615(3) 0.7367(3) 0.11121(19) 0.0581(18) Uani 1 1 d .
C21 C 0.6078(3) 0.7335(3) 0.1211(2) 0.0622(19) Uani 1 1 d .
C22 C 0.5893(3) 0.7467(3) 0.15882(19) 0.0629(19) Uani 1 1 d .
C23 C 0.5406(3) 0.7634(3) 0.1636(2) 0.081(2) Uani 1 1 d .
H23 H 0.5195 0.7679 0.1435 0.097 Uiso 1 1 calc R
C24 C 0.5231(4) 0.7736(4) 0.1980(3) 0.103(3) Uani 1 1 d U
H24 H 0.4906 0.7866 0.2008 0.123 Uiso 1 1 calc R
C25 C 0.5519(4) 0.7652(4) 0.2282(2) 0.092(3) Uani 1 1 d D
C26 C 0.5974(4) 0.7485(4) 0.2242(2) 0.101(3) Uani 1 1 d .
H26 H 0.6172 0.7425 0.2447 0.121 Uiso 1 1 calc R
C27 C 0.6178(4) 0.7392(3) 0.1895(2) 0.088(3) Uani 1 1 d .
H27 H 0.6510 0.7278 0.1873 0.105 Uiso 1 1 calc R
C28 C 0.5313(4) 0.7731(4) 0.2668(2) 0.147(5) Uani 1 1 d DU
H28A H 0.5014 0.7938 0.2658 0.220 Uiso 1 1 calc R
H28B H 0.5566 0.7896 0.2815 0.220 Uiso 1 1 calc R
H28C H 0.5230 0.7408 0.2774 0.220 Uiso 1 1 calc R
C29 C 0.7779(2) 0.6094(2) 0.01142(18) 0.0493(16) Uani 1 1 d .
C30 C 0.8001(3) 0.6438(3) -0.0129(2) 0.063(2) Uani 1 1 d .
H30 H 0.7804 0.6614 -0.0298 0.076 Uiso 1 1 calc R
C31 C 0.8509(3) 0.6509(3) -0.0114(2) 0.068(2) Uani 1 1 d .
C32 C 0.8825(3) 0.6308(3) 0.0129(3) 0.081(2) Uani 1 1 d .
H32 H 0.9164 0.6403 0.0143 0.097 Uiso 1 1 calc R
C33 C 0.8618(3) 0.5948(3) 0.0359(2) 0.074(2) Uani 1 1 d .
H33 H 0.8835 0.5771 0.0513 0.089 Uiso 1 1 calc R
C34 C 0.8102(2) 0.5834(2) 0.03717(18) 0.0538(17) Uani 1 1 d .
C35 C 0.7896(3) 0.5472(3) 0.06380(18) 0.0607(19) Uani 1 1 d .
C36 C 0.8212(3) 0.5093(3) 0.0816(2) 0.071(2) Uani 1 1 d .
C37 C 0.8081(3) 0.4950(3) 0.1170(2) 0.085(3) Uani 1 1 d .
H37 H 0.7819 0.5111 0.1295 0.102 Uiso 1 1 calc R
C38 C 0.8362(3) 0.4552(4) 0.1334(3) 0.105(3) Uani 1 1 d U
H38 H 0.8278 0.4450 0.1570 0.126 Uiso 1 1 calc R
C39 C 0.8753(3) 0.4311(3) 0.1159(3) 0.086(3) Uani 1 1 d DU
C40 C 0.8864(3) 0.4468(3) 0.0821(2) 0.089(3) Uani 1 1 d .
H40 H 0.9132 0.4310 0.0702 0.106 Uiso 1 1 calc R
C41 C 0.8612(3) 0.4846(3) 0.0637(2) 0.082(2) Uani 1 1 d .
H41 H 0.8704 0.4935 0.0401 0.098 Uiso 1 1 calc R
C42 C 0.9039(4) 0.3902(4) 0.1356(3) 0.138(4) Uani 1 1 d D
H42A H 0.9152 0.4027 0.1588 0.206 Uiso 1 1 calc R
H42B H 0.9327 0.3802 0.1213 0.206 Uiso 1 1 calc R
H42C H 0.8821 0.3615 0.1393 0.206 Uiso 1 1 calc R
C43 C 0.6531(2) 0.4920(2) 0.11594(19) 0.0537(17) Uani 1 1 d .
C44 C 0.6472(3) 0.4392(3) 0.1168(2) 0.068(2) Uani 1 1 d .
H44 H 0.6295 0.4228 0.0983 0.082 Uiso 1 1 calc R
C45 C 0.6673(3) 0.4125(3) 0.1446(2) 0.083(2) Uani 1 1 d .
C46 C 0.6918(4) 0.4340(3) 0.1735(2) 0.098(3) Uani 1 1 d .
H46 H 0.7063 0.4143 0.1918 0.117 Uiso 1 1 calc R
C47 C 0.6940(3) 0.4865(3) 0.1745(2) 0.085(3) Uani 1 1 d .
H47 H 0.7088 0.5026 0.1944 0.102 Uiso 1 1 calc R
C48 C 0.6743(3) 0.5156(3) 0.14572(18) 0.0572(18) Uani 1 1 d .
C49 C 0.6785(3) 0.5699(3) 0.14810(18) 0.0606(18) Uani 1 1 d .
C50 C 0.6895(3) 0.5985(3) 0.1833(2) 0.075(2) Uani 1 1 d .
C51 C 0.6668(4) 0.5830(4) 0.2155(2) 0.100(3) Uani 1 1 d .
H51 H 0.6451 0.5552 0.2158 0.120 Uiso 1 1 calc R
C52 C 0.6771(4) 0.6098(4) 0.2473(3) 0.121(4) Uani 1 1 d U
H52 H 0.6608 0.6007 0.2688 0.145 Uiso 1 1 calc R
C53 C 0.7114(5) 0.6499(5) 0.2474(3) 0.136(4) Uani 1 1 d DU
C54 C 0.7346(4) 0.6645(4) 0.2140(3) 0.115(4) Uani 1 1 d U
H54 H 0.7590 0.6899 0.2136 0.138 Uiso 1 1 calc R
C55 C 0.7203(4) 0.6406(3) 0.1824(2) 0.089(3) Uani 1 1 d .
H55 H 0.7316 0.6530 0.1601 0.107 Uiso 1 1 calc R
C56 C 0.7176(6) 0.6793(5) 0.2835(3) 0.208(7) Uani 1 1 d DU
H56A H 0.6988 0.6626 0.3024 0.312 Uiso 1 1 calc R
H56B H 0.7050 0.7132 0.2805 0.312 Uiso 1 1 calc R
H56C H 0.7528 0.6805 0.2900 0.312 Uiso 1 1 calc R
C57 C 0.5244(2) 0.5451(3) 0.14255(18) 0.0566(17) Uani 1 1 d .
C58 C 0.5334(3) 0.5929(3) 0.15885(19) 0.068(2) Uani 1 1 d .
H58 H 0.5370 0.6216 0.1443 0.082 Uiso 1 1 calc R
C59 C 0.5365(4) 0.5967(3) 0.1946(2) 0.093(3) Uani 1 1 d .
C60 C 0.5335(4) 0.5561(3) 0.2191(2) 0.097(3) Uani 1 1 d .
H60 H 0.5360 0.5609 0.2442 0.117 Uiso 1 1 calc R
C61 C 0.5267(3) 0.5092(3) 0.20427(19) 0.080(2) Uani 1 1 d .
H61 H 0.5252 0.4812 0.2196 0.096 Uiso 1 1 calc R
C62 C 0.5219(3) 0.5020(3) 0.16597(18) 0.0643(19) Uani 1 1 d .
C63 C 0.5135(3) 0.4508(3) 0.1520(2) 0.0639(19) Uani 1 1 d .
C64 C 0.5213(3) 0.4043(3) 0.17441(19) 0.072(2) Uani 1 1 d .
C65 C 0.5646(3) 0.3990(3) 0.1973(2) 0.092(3) Uani 1 1 d .
H65 H 0.5867 0.4260 0.2011 0.111 Uiso 1 1 calc R
C66 C 0.5726(4) 0.3530(4) 0.2136(3) 0.112(3) Uani 1 1 d U
H66 H 0.6012 0.3486 0.2281 0.134 Uiso 1 1 calc R
C67 C 0.5389(5) 0.3123(4) 0.2091(3) 0.110(3) Uani 1 1 d DU
C68 C 0.4966(4) 0.3197(3) 0.1873(3) 0.100(3) Uani 1 1 d U
H68 H 0.4738 0.2931 0.1848 0.119 Uiso 1 1 calc R
C69 C 0.4868(4) 0.3642(3) 0.1693(2) 0.090(3) Uani 1 1 d .
H69 H 0.4585 0.3677 0.1544 0.108 Uiso 1 1 calc R
C70 C 0.5506(6) 0.2575(4) 0.2255(3) 0.164(5) Uani 1 1 d DU
H70A H 0.5825 0.2582 0.2381 0.246 Uiso 1 1 calc R
H70B H 0.5521 0.2332 0.2060 0.246 Uiso 1 1 calc R
H70C H 0.5242 0.2481 0.2423 0.246 Uiso 1 1 calc R
C71 C 0.3472(2) 0.4831(3) 0.0536(2) 0.065(2) Uani 1 1 d .
C72 C 0.3121(3) 0.4647(3) 0.0278(3) 0.094(3) Uani 1 1 d .
H72 H 0.3216 0.4600 0.0035 0.112 Uiso 1 1 calc R
C73 C 0.2644(4) 0.4539(5) 0.0389(4) 0.128(4) Uani 1 1 d .
C74 C 0.2485(4) 0.4571(5) 0.0743(3) 0.125(4) Uani 1 1 d .
H74 H 0.2162 0.4464 0.0808 0.150 Uiso 1 1 calc R
C75 C 0.2827(3) 0.4772(4) 0.1013(3) 0.101(3) Uani 1 1 d .
H75 H 0.2722 0.4818 0.1253 0.121 Uiso 1 1 calc R
C76 C 0.3317(3) 0.4896(3) 0.0907(2) 0.073(2) Uani 1 1 d .
C77 C 0.3664(3) 0.5106(3) 0.1176(2) 0.073(2) Uani 1 1 d .
C78 C 0.3488(3) 0.5332(3) 0.1521(2) 0.076(2) Uani 1 1 d .
C79 C 0.3042(3) 0.5617(4) 0.1534(3) 0.096(3) Uani 1 1 d .
H79 H 0.2848 0.5672 0.1326 0.115 Uiso 1 1 calc R
C80 C 0.2895(4) 0.5821(4) 0.1875(3) 0.121(4) Uani 1 1 d .
H80 H 0.2593 0.6002 0.1891 0.145 Uiso 1 1 calc R
C81 C 0.3190(4) 0.5759(4) 0.2193(3) 0.116(3) Uani 1 1 d DU
C82 C 0.3639(4) 0.5477(5) 0.2163(3) 0.121(4) Uani 1 1 d U
H82 H 0.3844 0.5426 0.2367 0.145 Uiso 1 1 calc R
C83 C 0.3775(4) 0.5275(4) 0.1829(3) 0.102(3) Uani 1 1 d .
H83 H 0.4075 0.5092 0.1812 0.122 Uiso 1 1 calc R
C84 C 0.3015(5) 0.5980(5) 0.2557(3) 0.167(5) Uani 1 1 d D
H84A H 0.3134 0.6323 0.2578 0.250 Uiso 1 1 calc R
H84B H 0.3151 0.5780 0.2753 0.250 Uiso 1 1 calc R
H84C H 0.2652 0.5975 0.2568 0.250 Uiso 1 1 calc R
C85 C 0.4636(3) 0.3627(3) 0.0669(2) 0.069(2) Uani 1 1 d .
C86 C 0.4141(3) 0.3655(3) 0.0774(3) 0.105(3) Uani 1 1 d .
H86 H 0.3959 0.3951 0.0729 0.127 Uiso 1 1 calc R
C87 C 0.3909(3) 0.3265(4) 0.0941(4) 0.140(5) Uani 1 1 d .
C88 C 0.4162(4) 0.2824(4) 0.1004(4) 0.140(5) Uani 1 1 d .
H88 H 0.4001 0.2556 0.1122 0.169 Uiso 1 1 calc R
C89 C 0.4619(4) 0.2779(3) 0.0902(3) 0.107(4) Uani 1 1 d .
H89 H 0.4787 0.2475 0.0944 0.129 Uiso 1 1 calc R
C90 C 0.4880(3) 0.3173(3) 0.0727(2) 0.071(2) Uani 1 1 d .
C91 C 0.5396(4) 0.3102(3) 0.0620(2) 0.083(3) Uani 1 1 d .
C92 C 0.5704(4) 0.2659(3) 0.0763(2) 0.086(3) Uani 1 1 d .
C93 C 0.5715(4) 0.2504(4) 0.1132(3) 0.118(4) Uani 1 1 d .
H93 H 0.5537 0.2693 0.1304 0.141 Uiso 1 1 calc R
C94 C 0.5974(5) 0.2092(4) 0.1245(3) 0.131(4) Uani 1 1 d .
H94 H 0.5965 0.1999 0.1490 0.158 Uiso 1 1 calc R
C95 C 0.6259(5) 0.1799(5) 0.0996(3) 0.134(4) Uani 1 1 d D
C96 C 0.6286(5) 0.1976(5) 0.0654(4) 0.159(5) Uani 1 1 d U
H96 H 0.6493 0.1809 0.0488 0.191 Uiso 1 1 calc R
C97 C 0.6011(5) 0.2414(4) 0.0535(3) 0.142(5) Uani 1 1 d .
H97 H 0.6047 0.2528 0.0296 0.171 Uiso 1 1 calc R
C98 C 0.6534(5) 0.1358(4) 0.1134(4) 0.176(6) Uani 1 1 d DU
H98A H 0.6865 0.1460 0.1214 0.263 Uiso 1 1 calc R
H98B H 0.6565 0.1110 0.0944 0.263 Uiso 1 1 calc R
H98C H 0.6351 0.1214 0.1336 0.263 Uiso 1 1 calc R
C99 C 0.6736(3) 0.3931(3) 0.0155(2) 0.0623(19) Uani 1 1 d .
C100 C 0.7157(2) 0.4049(3) 0.0385(2) 0.068(2) Uani 1 1 d .
H100 H 0.7179 0.4358 0.0506 0.082 Uiso 1 1 calc R
C101 C 0.7533(3) 0.3681(4) 0.0418(3) 0.092(3) Uani 1 1 d U
C102 C 0.7539(3) 0.3220(3) 0.0234(3) 0.088(3) Uani 1 1 d U
H102 H 0.7799 0.2987 0.0270 0.106 Uiso 1 1 calc R
C103 C 0.7155(3) 0.3123(3) 0.0002(3) 0.082(3) Uani 1 1 d .
H103 H 0.7158 0.2821 -0.0129 0.098 Uiso 1 1 calc R
C104 C 0.6755(3) 0.3459(3) -0.0048(2) 0.067(2) Uani 1 1 d .
C105 C 0.6353(3) 0.3337(3) -0.0307(2) 0.077(2) Uani 1 1 d .
C106 C 0.6418(3) 0.2918(3) -0.0567(2) 0.082(3) Uani 1 1 d .
C107 C 0.6051(4) 0.2575(3) -0.0594(3) 0.104(3) Uani 1 1 d U
H107 H 0.5760 0.2588 -0.0450 0.125 Uiso 1 1 calc R
C108 C 0.6133(5) 0.2178(5) -0.0864(4) 0.151(5) Uani 1 1 d U
H108 H 0.5882 0.1935 -0.0898 0.181 Uiso 1 1 calc R
C109 C 0.6549(6) 0.2150(5) -0.1061(4) 0.159(5) Uani 1 1 d DU
C110 C 0.6904(5) 0.2528(5) -0.1030(4) 0.143(5) Uani 1 1 d U
H110 H 0.7189 0.2529 -0.1180 0.171 Uiso 1 1 calc R
C111 C 0.6836(4) 0.2898(4) -0.0782(3) 0.116(4) Uani 1 1 d U
H111 H 0.7083 0.3147 -0.0757 0.140 Uiso 1 1 calc R
C112 C 0.6596(7) 0.1715(6) -0.1349(4) 0.253(9) Uani 1 1 d DU
H11A H 0.6893 0.1769 -0.1495 0.380 Uiso 1 1 calc R
H11B H 0.6301 0.1715 -0.1503 0.380 Uiso 1 1 calc R
H11C H 0.6621 0.1395 -0.1226 0.380 Uiso 1 1 calc R
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'
F F 0.0171 0.0103 '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'
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
Eu2 Eu1 Eu2 90.124(9) . 7
Eu2 Eu1 Eu5 60.728(7) 7 .
Eu2 Eu1 Eu5 60.809(7) . .
O1 Eu1 Eu2 115.28(11) . .
O1 Eu1 Eu2 116.52(12) . 7
O1 Eu1 Eu5 81.94(11) . .
O1 Eu1 O2 71.43(15) . .
O1 Eu1 O3 133.62(15) . .
O1 Eu1 O4 79.05(17) . .
O1 Eu1 O5 135.91(15) . 7
O1 Eu1 O17 78.15(14) . .
O1 Eu1 O18 79.07(15) . .
O1 Eu1 O19 133.33(16) . .
O2 Eu1 Eu2 168.02(12) . .
O2 Eu1 Eu2 95.55(12) . 7
O2 Eu1 Eu5 131.11(12) . .
O2 Eu1 O3 127.50(15) . .
O2 Eu1 O4 74.27(18) . .
O2 Eu1 O5 74.15(15) . 7
O2 Eu1 O19 137.79(13) . .
O3 Eu1 Eu2 104.15(10) . 7
O3 Eu1 Eu2 40.58(9) . .
O3 Eu1 Eu5 100.64(9) . .
O3 Eu1 O5 89.48(14) . 7
O3 Eu1 O19 65.40(12) . .
O4 Eu1 Eu2 96.76(13) . .
O4 Eu1 Eu2 158.22(14) . 7
O4 Eu1 Eu5 140.02(14) . .
O4 Eu1 O3 69.63(15) . .
O4 Eu1 O5 116.78(16) . 7
O4 Eu1 O19 134.99(14) . .
O5 Eu1 Eu2 41.45(9) 7 7
O5 Eu1 Eu2 103.86(10) 7 .
O5 Eu1 Eu5 101.31(9) 7 .
O5 Eu1 O19 65.43(12) 7 .
O17 Eu1 Eu2 38.81(9) . .
O17 Eu1 Eu2 97.20(10) . 7
O17 Eu1 Eu5 40.23(9) . .
O17 Eu1 O2 149.56(15) . .
O17 Eu1 O3 75.47(12) . .
O17 Eu1 O4 101.11(17) . .
O17 Eu1 O5 131.21(14) . 7
O17 Eu1 O19 66.10(13) . .
O18 Eu1 Eu2 97.73(9) . .
O18 Eu1 Eu2 38.77(9) . 7
O18 Eu1 Eu5 40.68(9) . .
O18 Eu1 O2 93.28(15) . .
O18 Eu1 O3 131.36(13) . .
O18 Eu1 O4 157.37(15) . .
O18 Eu1 O5 76.24(13) . 7
O18 Eu1 O17 79.93(13) . .
O18 Eu1 O19 66.37(13) . .
O19 Eu1 Eu2 45.36(5) . .
O19 Eu1 Eu2 45.220(13) . 7
O19 Eu1 Eu5 51.40(12) . .
Eu1 Eu2 Eu1 89.875(9) . 7
Eu1 Eu2 Eu5 60.515(7) 7 .
Eu1 Eu2 Eu5 60.596(7) . .
O3 Eu2 Eu1 41.08(9) . .
O3 Eu2 Eu1 104.21(10) . 7
O3 Eu2 Eu5 100.92(9) . .
O3 Eu2 O5 89.43(14) . .
O3 Eu2 O19 65.65(12) . .
O5 Eu2 Eu1 103.73(10) . .
O5 Eu2 Eu1 41.30(9) . 7
O5 Eu2 Eu5 100.96(9) . .
O5 Eu2 O19 65.26(12) . .
O6 Eu2 Eu1 159.80(14) . .
O6 Eu2 Eu1 95.85(13) . 7
O6 Eu2 Eu5 138.39(14) . .
O6 Eu2 O3 118.79(17) . .
O6 Eu2 O5 69.45(15) . .
O6 Eu2 O19 134.50(14) . .
O7 Eu2 Eu1 114.98(11) . .
O7 Eu2 Eu1 115.01(12) . 7
O7 Eu2 Eu5 80.63(11) . .
O7 Eu2 O3 134.64(16) . .
O7 Eu2 O5 135.28(15) . .
O7 Eu2 O6 80.01(16) . .
O7 Eu2 O8 71.41(16) . .
O7 Eu2 O17 77.47(14) . .
O7 Eu2 O18 77.75(14) . 7
O7 Eu2 O19 131.90(16) . .
O8 Eu2 Eu1 167.08(13) . 7
O8 Eu2 Eu1 97.47(12) . .
O8 Eu2 Eu5 132.41(13) . .
O8 Eu2 O3 75.26(15) . .
O8 Eu2 O5 126.07(16) . .
O8 Eu2 O6 73.74(18) . .
O8 Eu2 O19 139.55(12) . .
O17 Eu2 Eu1 96.91(10) . 7
O17 Eu2 Eu1 38.90(9) . .
O17 Eu2 Eu5 40.06(9) . .
O17 Eu2 O3 76.01(13) . .
O17 Eu2 O5 130.95(13) . .
O17 Eu2 O6 157.18(15) . .
O17 Eu2 O8 95.47(16) . .
O17 Eu2 O18 79.68(13) . 7
O17 Eu2 O19 66.07(13) . .
O18 Eu2 Eu1 38.48(9) 7 7
O18 Eu2 Eu1 97.39(9) 7 .
O18 Eu2 Eu5 40.60(9) 7 .
O18 Eu2 O3 131.37(13) 7 .
O18 Eu2 O5 75.83(13) 7 .
O18 Eu2 O6 99.13(17) 7 .
O18 Eu2 O8 149.09(15) 7 .
O18 Eu2 O19 66.09(13) 7 .
O19 Eu2 Eu1 45.106(13) . 7
O19 Eu2 Eu1 45.25(7) . .
O19 Eu2 Eu5 51.26(12) . .
Eu4 Eu3 Eu4 90.231(11) 7 .
Eu4 Eu3 Eu5 60.760(8) . .
Eu4 Eu3 Eu5 60.994(7) 7 .
O9 Eu3 Eu4 115.73(11) . 7
O9 Eu3 Eu4 116.15(11) . .
O9 Eu3 Eu5 81.92(10) . .
O9 Eu3 O10 72.03(16) . .
O9 Eu3 O11 134.06(16) . .
O9 Eu3 O12 79.48(17) . .
O9 Eu3 O13 134.59(15) . .
O9 Eu3 O20 79.10(15) . .
O9 Eu3 O21 133.71(16) . .
O9 Eu3 O22 78.59(15) . .
O10 Eu3 Eu4 168.19(12) . 7
O10 Eu3 Eu4 94.05(12) . .
O10 Eu3 Eu5 130.49(12) . .
O10 Eu3 O11 127.06(16) . .
O10 Eu3 O12 74.06(19) . .
O10 Eu3 O13 72.40(16) . .
O10 Eu3 O21 136.06(13) . .
O11 Eu3 Eu4 41.13(11) . 7
O11 Eu3 Eu4 104.53(12) . .
O11 Eu3 Eu5 101.39(11) . .
O11 Eu3 O13 90.30(15) . .
O11 Eu3 O21 65.85(14) . .
O12 Eu3 Eu4 98.01(14) . 7
O12 Eu3 Eu4 156.98(14) . .
O12 Eu3 Eu5 141.51(15) . .
O12 Eu3 O11 69.82(17) . .
O12 Eu3 O13 116.15(18) . .
O12 Eu3 O21 135.67(15) . .
O13 Eu3 Eu4 104.39(11) . 7
O13 Eu3 Eu4 40.83(10) . .
O13 Eu3 Eu5 100.88(10) . .
O13 Eu3 O21 65.29(13) . .
O20 Eu3 Eu4 97.32(10) . 7
O20 Eu3 Eu4 38.58(10) . .
O20 Eu3 Eu5 40.20(10) . .
O20 Eu3 O10 92.87(16) . .
O20 Eu3 O11 131.45(15) . .
O20 Eu3 O12 157.52(17) . .
O20 Eu3 O13 75.43(14) . .
O20 Eu3 O21 66.03(13) . .
O20 Eu3 O22 79.89(13) . .
O21 Eu3 Eu4 45.16(9) . .
O21 Eu3 Eu4 45.574(14) . 7
O21 Eu3 Eu5 51.80(12) . .
O22 Eu3 Eu4 97.48(10) . .
O22 Eu3 Eu4 38.70(10) . 7
O22 Eu3 Eu5 40.58(10) . .
O22 Eu3 O10 150.58(16) . .
O22 Eu3 O11 75.74(14) . .
O22 Eu3 O12 102.39(18) . .
O22 Eu3 O13 131.37(15) . .
O22 Eu3 O21 66.50(13) . .
Eu3 Eu4 Eu3 89.769(11) 7 .
Eu3 Eu4 Eu5 60.439(7) . .
Eu3 Eu4 Eu5 60.670(7) 7 .
O11 Eu4 Eu3 104.40(11) 7 .
O11 Eu4 Eu3 41.47(10) 7 7
O11 Eu4 Eu5 101.41(10) 7 .
O11 Eu4 O13 89.79(16) 7 .
O11 Eu4 O21 65.92(13) 7 .
O13 Eu4 Eu3 104.46(11) . 7
O13 Eu4 Eu3 41.86(10) . .
O13 Eu4 Eu5 101.57(10) . .
O13 Eu4 O21 65.81(13) . .
O14 Eu4 Eu3 101.82(14) . .
O14 Eu4 Eu3 148.14(15) . 7
O14 Eu4 Eu5 150.04(15) . .
O14 Eu4 O11 106.67(18) . 7
O14 Eu4 O13 68.70(17) . .
O14 Eu4 O21 133.78(16) . .
O15 Eu4 Eu3 113.04(11) . .
O15 Eu4 Eu3 119.66(12) . 7
O15 Eu4 Eu5 82.78(11) . .
O15 Eu4 O11 138.47(17) . 7
O15 Eu4 O13 130.29(16) . .
O15 Eu4 O14 83.12(18) . .
O15 Eu4 O16 72.14(16) . .
O15 Eu4 O20 76.94(15) . .
O15 Eu4 O21 134.19(16) . .
O15 Eu4 O22 81.72(15) . 7
O16 Eu4 Eu3 172.13(12) . .
O16 Eu4 Eu3 92.60(13) . 7
O16 Eu4 Eu5 127.08(13) . .
O16 Eu4 O11 72.83(16) . 7
O16 Eu4 O13 130.29(16) . .
O16 Eu4 O14 72.44(19) . .
O16 Eu4 O21 135.85(13) . .
O20 Eu4 Eu3 96.80(10) . 7
O20 Eu4 Eu3 38.36(10) . .
O20 Eu4 Eu5 40.02(10) . .
O20 Eu4 O11 131.23(14) . 7
O20 Eu4 O13 76.19(14) . .
O20 Eu4 O14 110.75(18) . .
O20 Eu4 O16 148.33(15) . .
O20 Eu4 O21 65.72(13) . .
O21 Eu4 Eu3 44.946(14) . .
O21 Eu4 Eu3 45.355(14) . 7
O21 Eu4 Eu5 51.59(12) . .
O22 Eu4 Eu3 39.04(9) 7 7
O22 Eu4 Eu3 97.05(10) 7 .
O22 Eu4 Eu5 40.26(10) 7 .
O22 Eu4 O11 76.38(14) 7 7
O22 Eu4 O13 131.99(14) 7 .
O22 Eu4 O14 159.30(16) 7 .
O22 Eu4 O16 89.50(16) 7 .
O22 Eu4 O20 79.34(14) 7 .
O22 Eu4 O21 66.57(13) 7 .
Eu3 Eu5 Eu3 87.490(13) . 7
O17 Eu5 Eu3 164.10(9) . 7
O17 Eu5 Eu3 76.80(9) 7 7
O17 Eu5 Eu3 164.10(9) 7 .
O17 Eu5 Eu3 76.80(9) . .
O17 Eu5 O17 119.00(18) . 7
O17 Eu5 O18 75.06(12) 7 7
O17 Eu5 O18 75.06(12) . .
O17 Eu5 O18 75.02(12) . 7
O17 Eu5 O18 75.02(12) 7 .
O17 Eu5 O19 59.50(9) . .
O17 Eu5 O19 59.50(9) 7 .
O17 Eu5 O20 139.12(13) . 7
O17 Eu5 O20 76.55(13) 7 7
O17 Eu5 O20 76.55(13) . .
O17 Eu5 O20 139.12(13) 7 .
O17 Eu5 O21 120.50(9) 7 .
O17 Eu5 O21 120.50(9) . .
O17 Eu5 O22 73.21(13) 7 7
O17 Eu5 O22 143.68(12) . 7
O17 Eu5 O22 73.21(13) . .
O17 Eu5 O22 143.68(12) 7 .
O18 Eu5 Eu3 113.37(9) . .
O18 Eu5 Eu3 109.76(8) 7 .
O18 Eu5 Eu3 113.37(9) 7 7
O18 Eu5 Eu3 109.76(8) . 7
O18 Eu5 O18 118.86(17) . 7
O18 Eu5 O19 59.43(8) 7 .
O18 Eu5 O19 59.43(8) . .
O18 Eu5 O21 120.57(8) 7 .
O18 Eu5 O21 120.57(8) . .
O19 Eu5 Eu3 136.255(7) . 7
O19 Eu5 Eu3 136.255(7) . .
O19 Eu5 O21 180.0 . .
O20 Eu5 Eu3 92.59(9) 7 .
O20 Eu5 Eu3 37.79(9) 7 7
O20 Eu5 Eu3 37.79(9) . .
O20 Eu5 Eu3 92.59(9) . 7
O20 Eu5 O18 73.39(12) 7 .
O20 Eu5 O18 144.13(13) 7 7
O20 Eu5 O18 73.39(12) . 7
O20 Eu5 O18 144.13(13) . .
O20 Eu5 O19 121.04(9) . .
O20 Eu5 O19 121.04(9) 7 .
O20 Eu5 O20 117.92(19) 7 .
O20 Eu5 O21 58.96(9) 7 .
O20 Eu5 O21 58.96(9) . .
O20 Eu5 O22 75.08(13) . .
O20 Eu5 O22 74.47(13) 7 .
O20 Eu5 O22 75.08(13) 7 7
O20 Eu5 O22 74.47(13) . 7
O21 Eu5 Eu3 43.745(7) . 7
O21 Eu5 Eu3 43.745(7) . .
O22 Eu5 Eu3 38.10(9) . .
O22 Eu5 Eu3 92.93(10) 7 .
O22 Eu5 Eu3 92.93(10) . 7
O22 Eu5 Eu3 38.10(9) 7 7
O22 Eu5 O18 139.36(13) 7 .
O22 Eu5 O18 76.06(12) . .
O22 Eu5 O18 139.36(13) . 7
O22 Eu5 O18 76.06(12) 7 7
O22 Eu5 O19 120.61(9) . .
O22 Eu5 O19 120.61(9) 7 .
O22 Eu5 O21 59.39(9) . .
O22 Eu5 O21 59.39(9) 7 .
O22 Eu5 O22 118.77(19) . 7
C1 O1 Eu1 132.9(4) . .
C7 O2 Eu1 137.0(4) . .
Eu2 O3 Eu1 98.34(14) . .
C15 O3 Eu1 130.2(4) . .
C15 O3 Eu2 130.0(4) . .
C21 O4 Eu1 139.9(5) . .
Eu1 O5 Eu2 97.24(13) 7 .
C29 O5 Eu1 126.3(4) . 7
C29 O5 Eu2 132.9(4) . .
C35 O6 Eu2 142.8(5) . .
C43 O7 Eu2 133.0(4) . .
C49 O8 Eu2 135.3(4) . .
C57 O9 Eu3 134.2(4) . .
C63 O10 Eu3 139.1(5) . .
Eu4 O11 Eu3 97.40(16) 7 .
C71 O11 Eu3 132.0(4) . .
C71 O11 Eu4 127.3(4) . 7
C77 O12 Eu3 142.6(5) . .
Eu4 O13 Eu3 97.30(15) . .
C85 O13 Eu3 125.6(4) . .
C85 O13 Eu4 135.7(4) . .
C91 O14 Eu4 139.8(6) . .
C99 O15 Eu4 133.3(4) . .
C105 O16 Eu4 135.4(5) . .
Eu1 O17 Eu5 101.70(14) . .
Eu2 O17 Eu1 102.29(14) . .
Eu2 O17 Eu5 102.12(14) . .
Eu1 O18 Eu2 102.75(14) . 7
Eu1 O18 Eu5 101.43(14) . .
Eu2 O18 Eu5 101.30(14) 7 .
Eu1 O19 Eu1 169.5(2) . 7
Eu1 O19 Eu2 89.67(2) 7 .
Eu1 O19 Eu2 89.39(2) . .
Eu1 O19 Eu2 89.39(2) 7 7
Eu1 O19 Eu2 89.67(2) . 7
Eu1 O19 Eu5 84.74(12) . .
Eu1 O19 Eu5 84.74(12) 7 .
Eu2 O19 Eu2 169.7(2) . 7
Eu2 O19 Eu5 84.87(12) . .
Eu2 O19 Eu5 84.87(12) 7 .
Eu3 O20 Eu4 103.05(15) . .
Eu3 O20 Eu5 102.01(14) . .
Eu4 O20 Eu5 102.13(15) . .
Eu3 O21 Eu3 168.9(2) . 7
Eu3 O21 Eu4 89.89(3) 7 7
Eu3 O21 Eu4 89.07(3) . 7
Eu3 O21 Eu4 89.07(3) 7 .
Eu3 O21 Eu4 89.89(8) . .
Eu3 O21 Eu5 84.46(12) . .
Eu3 O21 Eu5 84.46(12) 7 .
Eu4 O21 Eu4 169.2(2) 7 .
Eu4 O21 Eu5 84.62(12) 7 .
Eu4 O21 Eu5 84.62(12) . .
Eu3 O22 Eu5 101.32(14) . .
Eu4 O22 Eu3 102.26(15) 7 .
Eu4 O22 Eu5 102.25(15) 7 .
O1 C1 C2 118.9(6) . .
O1 C1 C6 123.7(6) . .
C6 C1 C2 117.2(6) . .
C3 C2 C1 120.9(7) . .
F1 C3 C4 115.7(8) . .
C2 C3 F1 119.9(8) . .
C2 C3 C4 124.4(8) . .
C3 C4 C5 117.5(8) . .
C4 C5 C6 120.6(7) . .
C1 C6 C5 119.4(7) . .
C1 C6 C7 122.3(6) . .
C5 C6 C7 118.3(6) . .
O2 C7 C6 121.5(6) . .
O2 C7 C8 115.9(6) . .
C6 C7 C8 122.5(6) . .
C9 C8 C7 120.9(7) . .
C13 C8 C7 120.6(6) . .
C13 C8 C9 118.3(7) . .
C8 C9 C10 120.1(9) . .
C9 C10 C11 118.6(9) . .
C10 C11 C14 120.8(10) . .
C12 C11 C10 119.7(8) . .
C12 C11 C14 119.2(10) . .
C13 C12 C11 118.4(9) . .
C12 C13 C8 124.3(8) . .
O3 C15 C16 117.2(6) . .
O3 C15 C20 123.4(6) . .
C20 C15 C16 119.4(6) . .
C17 C16 C15 118.2(7) . .
F2 C17 C16 117.5(9) . .
F2 C17 C18 118.4(8) . .
C18 C17 C16 123.8(8) . .
C17 C18 C19 118.8(8) . .
C18 C19 C20 120.6(8) . .
C15 C20 C19 119.0(7) . .
C15 C20 C21 120.9(6) . .
C19 C20 C21 120.0(7) . .
O4 C21 C20 121.3(6) . .
O4 C21 C22 117.0(6) . .
C20 C21 C22 121.8(6) . .
C23 C22 C21 119.7(7) . .
C27 C22 C21 122.9(7) . .
C27 C22 C23 117.2(7) . .
C24 C23 C22 119.8(9) . .
C25 C24 C23 122.0(9) . .
C24 C25 C28 122.3(10) . .
C26 C25 C24 118.9(9) . .
C26 C25 C28 118.8(10) . .
C25 C26 C27 121.3(9) . .
C22 C27 C26 120.7(9) . .
O5 C29 C30 119.1(6) . .
O5 C29 C34 122.3(6) . .
C30 C29 C34 118.5(6) . .
C31 C30 C29 118.5(7) . .
C30 C31 F3 116.9(7) . .
C32 C31 F3 116.6(7) . .
C32 C31 C30 126.4(8) . .
C31 C32 C33 115.7(7) . .
C32 C33 C34 123.7(7) . .
C29 C34 C35 121.7(5) . .
C33 C34 C29 116.8(6) . .
C33 C34 C35 121.6(6) . .
O6 C35 C34 120.5(6) . .
O6 C35 C36 117.3(6) . .
C36 C35 C34 122.2(6) . .
C37 C36 C35 117.4(7) . .
C37 C36 C41 119.6(7) . .
C41 C36 C35 122.8(7) . .
C36 C37 C38 117.7(8) . .
C39 C38 C37 122.6(9) . .
C38 C39 C42 119.2(9) . .
C40 C39 C38 117.0(8) . .
C40 C39 C42 123.8(9) . .
C39 C40 C41 124.8(8) . .
C40 C41 C36 118.3(8) . .
O7 C43 C44 116.7(6) . .
O7 C43 C48 124.8(6) . .
C48 C43 C44 118.5(6) . .
C45 C44 C43 119.7(8) . .
C44 C45 F4 120.2(8) . .
C44 C45 C46 123.7(8) . .
C46 C45 F4 116.1(8) . .
C45 C46 C47 117.1(8) . .
C46 C47 C48 120.7(8) . .
C43 C48 C47 119.9(7) . .
C43 C48 C49 122.0(6) . .
C47 C48 C49 118.0(7) . .
O8 C49 C48 122.0(6) . .
O8 C49 C50 114.0(6) . .
C48 C49 C50 124.0(6) . .
C51 C50 C49 119.5(8) . .
C55 C50 C49 119.6(7) . .
C55 C50 C51 120.8(8) . .
C50 C51 C52 118.7(9) . .
C51 C52 C53 121.1(10) . .
C52 C53 C54 118.8(9) . .
C52 C53 C56 117.1(12) . .
C54 C53 C56 123.8(11) . .
C55 C54 C53 119.0(9) . .
C54 C55 C50 120.9(9) . .
O9 C57 C58 119.1(6) . .
O9 C57 C62 123.2(6) . .
C58 C57 C62 117.7(6) . .
C59 C58 C57 119.8(7) . .
F5 C59 C60 115.0(7) . .
C58 C59 F5 119.7(8) . .
C58 C59 C60 125.3(8) . .
C61 C60 C59 116.4(8) . .
C60 C61 C62 121.8(7) . .
C57 C62 C63 122.3(6) . .
C61 C62 C57 118.9(7) . .
C61 C62 C63 118.8(7) . .
O10 C63 C62 121.3(7) . .
O10 C63 C64 115.5(7) . .
C62 C63 C64 123.2(7) . .
C65 C64 C63 121.1(8) . .
C69 C64 C63 117.2(8) . .
C69 C64 C65 121.5(7) . .
C66 C65 C64 117.9(9) . .
C65 C66 C67 122.0(10) . .
C66 C67 C70 121.7(11) . .
C68 C67 C66 118.0(8) . .
C68 C67 C70 120.0(11) . .
C69 C68 C67 123.4(10) . .
C68 C69 C64 117.2(9) . .
O11 C71 C72 116.2(7) . .
O11 C71 C76 124.3(7) . .
C72 C71 C76 119.5(7) . .
C73 C72 C71 118.7(10) . .
F6 C73 C72 119.6(11) . .
F6 C73 C74 116.4(9) . .
C72 C73 C74 123.9(11) . .
C73 C74 C75 118.9(9) . .
C76 C75 C74 118.6(9) . .
C71 C76 C77 120.7(6) . .
C75 C76 C71 120.2(8) . .
C75 C76 C77 119.1(8) . .
O12 C77 C76 120.4(7) . .
O12 C77 C78 116.9(8) . .
C76 C77 C78 122.5(7) . .
C79 C78 C77 121.0(8) . .
C83 C78 C77 119.3(8) . .
C83 C78 C79 119.7(8) . .
C78 C79 C80 117.8(9) . .
C81 C80 C79 122.3(10) . .
C80 C81 C84 120.7(11) . .
C82 C81 C80 117.5(9) . .
C82 C81 C84 121.7(11) . .
C83 C82 C81 119.4(10) . .
C78 C83 C82 123.1(9) . .
O13 C85 C86 118.7(7) . .
O13 C85 C90 124.3(7) . .
C86 C85 C90 116.9(7) . .
C87 C86 C85 121.4(9) . .
C86 C87 F7 119.4(10) . .
C86 C87 C88 120.6(10) . .
C88 C87 F7 120.0(9) . .
C89 C88 C87 119.7(10) . .
C88 C89 C90 122.2(9) . .
C85 C90 C89 119.1(8) . .
C85 C90 C91 121.1(7) . .
C89 C90 C91 119.8(8) . .
O14 C91 C90 124.5(8) . .
O14 C91 C92 114.5(8) . .
C90 C91 C92 121.0(8) . .
C93 C92 C91 124.5(8) . .
C97 C92 C91 118.7(8) . .
C97 C92 C93 116.7(8) . .
C94 C93 C92 122.5(10) . .
C93 C94 C95 120.8(10) . .
C94 C95 C98 118.3(11) . .
C96 C95 C94 116.3(10) . .
C96 C95 C98 125.2(13) . .
C95 C96 C97 122.7(12) . .
C92 C97 C96 120.4(10) . .
O15 C99 C100 117.3(6) . .
O15 C99 C104 125.1(7) . .
C100 C99 C104 117.5(7) . .
C101 C100 C99 117.1(7) . .
F8 C101 C100 116.4(8) . .
F8 C101 C102 118.5(7) . .
C102 C101 C100 125.0(8) . .
C103 C102 C101 117.7(7) . .
C102 C103 C104 122.1(8) . .
C99 C104 C105 119.8(6) . .
C103 C104 C99 120.4(7) . .
C103 C104 C105 119.7(7) . .
O16 C105 C104 123.5(7) . .
O16 C105 C106 116.3(7) . .
C104 C105 C106 120.2(7) . .
C107 C106 C105 118.4(9) . .
C107 C106 C111 121.5(9) . .
C111 C106 C105 120.1(9) . .
C106 C107 C108 115.5(11) . .
C109 C108 C107 122.6(13) . .
C108 C109 C110 118.9(12) . .
C108 C109 C112 118.5(16) . .
C110 C109 C112 122.3(16) . .
C111 C110 C109 119.3(13) . .
C110 C111 C106 122.0(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 Eu2 3.5986(4) .
Eu1 Eu2 3.6077(4) 7
Eu1 Eu5 3.6731(4) .
Eu1 O1 2.272(4) .
Eu1 O2 2.348(4) .
Eu1 O3 2.390(4) .
Eu1 O4 2.349(5) .
Eu1 O5 2.400(4) 7
Eu1 O17 2.313(4) .
Eu1 O18 2.302(4) .
Eu1 O19 2.556(3) .
Eu2 Eu1 3.6077(4) 7
Eu2 Eu5 3.6808(4) .
Eu2 O3 2.366(4) .
Eu2 O5 2.407(4) .
Eu2 O6 2.361(4) .
Eu2 O7 2.274(4) .
Eu2 O8 2.352(5) .
Eu2 O17 2.308(4) .
Eu2 O18 2.316(4) 7
Eu2 O19 2.561(3) .
Eu3 Eu4 3.6111(5) .
Eu3 Eu4 3.5851(4) 7
Eu3 Eu5 3.6721(4) .
Eu3 O9 2.271(4) .
Eu3 O10 2.333(5) .
Eu3 O11 2.394(4) .
Eu3 O12 2.355(5) .
Eu3 O13 2.430(4) .
Eu3 O20 2.301(4) .
Eu3 O21 2.5510(6) .
Eu3 O22 2.311(4) .
Eu4 Eu3 3.5851(4) 7
Eu4 Eu5 3.6837(4) .
Eu4 O11 2.378(4) 7
Eu4 O13 2.380(4) .
Eu4 O14 2.377(5) .
Eu4 O15 2.278(4) .
Eu4 O16 2.371(5) .
Eu4 O20 2.312(4) .
Eu4 O21 2.561(4) .
Eu4 O22 2.294(4) 7
Eu5 Eu3 3.6721(4) 7
Eu5 O17 2.423(4) .
Eu5 O17 2.423(4) 7
Eu5 O18 2.443(4) .
Eu5 O18 2.443(4) 7
Eu5 O19 2.883(5) .
Eu5 O20 2.423(4) 7
Eu5 O20 2.423(4) .
Eu5 O21 2.899(6) .
Eu5 O22 2.436(4) .
Eu5 O22 2.436(4) 7
F1 C3 1.355(9) .
F2 C17 1.330(9) .
F3 C31 1.379(8) .
F4 C45 1.373(9) .
F5 C59 1.371(9) .
F6 C73 1.353(11) .
F7 C87 1.382(11) .
F8 C101 1.390(9) .
O1 C1 1.296(7) .
O2 C7 1.234(7) .
O3 C15 1.333(7) .
O4 C21 1.260(8) .
O5 Eu1 2.400(4) 7
O5 C29 1.341(7) .
O6 C35 1.254(7) .
O7 C43 1.298(7) .
O8 C49 1.293(8) .
O9 C57 1.312(7) .
O10 C63 1.240(8) .
O11 Eu4 2.378(4) 7
O11 C71 1.336(7) .
O12 C77 1.245(8) .
O13 C85 1.328(8) .
O14 C91 1.246(9) .
O15 C99 1.296(8) .
O16 C105 1.258(9) .
O18 Eu2 2.316(4) 7
O19 Eu1 2.556(3) 7
O19 Eu2 2.561(3) 7
O21 Eu3 2.5510(6) 7
O21 Eu4 2.561(4) 7
O22 Eu4 2.294(4) 7
C1 C2 1.424(9) .
C1 C6 1.383(9) .
C2 C3 1.307(10) .
C3 C4 1.365(11) .
C4 C5 1.369(11) .
C5 C6 1.435(10) .
C6 C7 1.463(9) .
C7 C8 1.486(9) .
C8 C9 1.381(10) .
C8 C13 1.358(9) .
C9 C10 1.401(11) .
C10 C11 1.412(13) .
C11 C12 1.385(13) .
C11 C14 1.545(10) .
C12 C13 1.350(10) .
C15 C16 1.423(9) .
C15 C20 1.392(9) .
C16 C17 1.374(11) .
C17 C18 1.344(12) .
C18 C19 1.389(11) .
C19 C20 1.415(9) .
C20 C21 1.462(10) .
C21 C22 1.507(9) .
C22 C23 1.369(10) .
C22 C27 1.364(10) .
C23 C24 1.368(11) .
C24 C25 1.359(13) .
C25 C26 1.289(13) .
C25 C28 1.529(10) .
C26 C27 1.402(11) .
C29 C30 1.400(9) .
C29 C34 1.444(9) .
C30 C31 1.353(9) .
C31 C32 1.328(10) .
C32 C33 1.383(10) .
C33 C34 1.393(9) .
C34 C35 1.468(9) .
C35 C36 1.455(9) .
C36 C37 1.395(11) .
C36 C41 1.402(10) .
C37 C38 1.419(11) .
C38 C39 1.370(12) .
C39 C40 1.339(12) .
C39 C42 1.501(10) .
C40 C41 1.373(10) .
C43 C44 1.400(9) .
C43 C48 1.375(9) .
C44 C45 1.345(10) .
C45 C46 1.365(12) .
C46 C47 1.387(11) .
C47 C48 1.405(9) .
C48 C49 1.440(9) .
C49 C50 1.520(10) .
C50 C51 1.384(11) .
C50 C55 1.375(11) .
C51 C52 1.388(12) .
C52 C53 1.392(14) .
C53 C54 1.421(15) .
C53 C56 1.541(12) .
C54 C55 1.371(12) .
C57 C58 1.415(9) .
C57 C62 1.425(9) .
C58 C59 1.316(10) .
C59 C60 1.399(11) .
C60 C61 1.363(10) .
C61 C62 1.421(10) .
C62 C63 1.461(10) .
C63 C64 1.489(9) .
C64 C65 1.422(11) .
C64 C69 1.409(11) .
C65 C66 1.369(11) .
C66 C67 1.403(14) .
C67 C68 1.383(13) .
C67 C70 1.597(11) .
C68 C69 1.370(11) .
C71 C72 1.410(10) .
C71 C76 1.429(10) .
C72 C73 1.354(12) .
C73 C74 1.362(15) .
C74 C75 1.440(13) .
C75 C76 1.386(10) .
C76 C77 1.454(11) .
C77 C78 1.471(11) .
C78 C79 1.397(11) .
C78 C83 1.366(11) .
C79 C80 1.414(13) .
C80 C81 1.409(14) .
C81 C82 1.404(14) .
C81 C84 1.525(11) .
C82 C83 1.383(12) .
C85 C86 1.364(10) .
C85 C90 1.376(10) .
C86 C87 1.346(12) .
C87 C88 1.360(13) .
C88 C89 1.268(13) .
C89 C90 1.401(11) .
C90 C91 1.428(11) .
C91 C92 1.517(11) .
C92 C93 1.411(12) .
C92 C97 1.332(12) .
C93 C94 1.349(12) .
C94 C95 1.411(14) .
C95 C96 1.336(15) .
C95 C98 1.462(11) .
C96 C97 1.433(14) .
C99 C100 1.425(9) .
C99 C104 1.451(9) .
C100 C101 1.393(10) .
C101 C102 1.391(11) .
C102 C103 1.347(10) .
C103 C104 1.391(9) .
C104 C105 1.459(10) .
C105 C106 1.468(11) .
C106 C107 1.330(12) .
C106 C111 1.354(13) .
C107 C108 1.454(13) .
C108 C109 1.316(18) .
C109 C110 1.371(18) .
C109 C112 1.564(13) .
C110 C111 1.346(15) .
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
1 0.454 0.092 -0.023 6944.4 137.3
2 0.209 0.209 0.500 56.3 4.6
3 0.709 0.291 0.250 56.4 4.9
4 0.291 0.709 0.750 56.3 3.8
5 0.791 0.791 0.000 56.4 4.6
