#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/36/7033687.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_7033687
loop_
_publ_author_name
'Feng, Chang'
'Sun, Jing-Wen'
'Yan, Peng-Fei'
'Li, Yu-Xin'
'Liu, Tian-Qi'
'Sun, Qing-Yan'
'Li, Guang-Ming'
_publ_section_title
;
 Color-tunable and white-light emission of one-dimensional
 l-di-2-thenoyltartaric acid mixed-lanthanide coordination polymers.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4640
_journal_page_last               4647
_journal_paper_doi               10.1039/c4dt03457k
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C44 H20 Eu2 O30 S6'
_chemical_formula_sum            'C44.5 H42.5 Eu2 O30.75 S6'
_chemical_formula_weight         1524.90
_chemical_name_common            Eu
_chemical_name_systematic        2#Eu
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-01-15 deposited with the CCDC.
2015-01-19 downloaded from the CCDC.
;
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   9.749(5)
_cell_length_b                   21.935(5)
_cell_length_c                   31.167(5)
_cell_measurement_reflns_used    20882
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3.21
_cell_volume                     6665(4)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0608
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            20882
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.21
_exptl_absorpt_coefficient_mu    2.130
_exptl_absorpt_correction_T_max  0.758
_exptl_absorpt_correction_T_min  0.590
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs(Sheldrick,1996)
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2984
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.13
_platon_squeeze_details          ' ?'
_refine_diff_density_max         1.371
_refine_diff_density_min         -0.933
_refine_diff_density_rms         0.133
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     729
_refine_ls_number_reflns         11743
_refine_ls_number_restraints     446
_refine_ls_restrained_S_all      5.611
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0559
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0751P)²+17.1642P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1389
_refine_ls_wR_factor_ref         0.1438
_reflns_number_gt                9887
_reflns_number_total             11743
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03457k1.cif
_cod_data_source_block           2#Eu
_cod_depositor_comments
'Adding full bibliography for 7033687--7033690.cif.'
_cod_original_sg_symbol_Hall     ' P 2ac 2ab '
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_database_code               7033687
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -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
C1 C -0.197(8) 0.577(4) 0.585(2) 0.11(2) Uani 1 1 d U
C2 C -0.096(8) 0.553(4) 0.572(2) 0.096(19) Uani 1 1 d U
C4 C -0.052(5) 0.566(2) 0.6455(13) 0.055(12) Uani 1 1 d U
C5 C 0.008(4) 0.567(2) 0.6896(12) 0.043(11) Uani 1 1 d U
C6 C 0.117(4) 0.5089(19) 0.7676(12) 0.033(10) Uani 1 1 d .
C7 C 0.196(4) 0.545(2) 0.7332(12) 0.036(10) Uani 1 1 d .
H7 H 0.2027 0.5877 0.7416 0.043 Uiso 1 1 calc R
C8 C 0.340(4) 0.5195(19) 0.7245(12) 0.035(10) Uani 1 1 d .
H8 H 0.3348 0.4758 0.7183 0.042 Uiso 1 1 calc R
C9 C 0.442(4) 0.5315(16) 0.7621(12) 0.031(9) Uani 1 1 d .
C10 C 0.284(3) 0.4290(15) 0.8476(11) 0.029(8) Uani 1 1 d .
C12 C -0.064(4) 0.5699(19) 0.8794(11) 0.037(10) Uani 1 1 d .
C13 C -0.205(4) 0.6001(19) 0.8760(12) 0.039(10) Uani 1 1 d .
H13 H -0.2518 0.5845 0.8504 0.047 Uiso 1 1 calc R
C14 C -0.294(3) 0.588(2) 0.9144(12) 0.039(10) Uani 1 1 d .
H14 H -0.3026 0.5435 0.9183 0.047 Uiso 1 1 calc R
C15 C -0.434(4) 0.615(2) 0.9089(13) 0.043(11) Uani 1 1 d .
C16 C -0.145(5) 0.687(2) 0.8347(16) 0.057(14) Uani 1 1 d .
C17 C -0.144(6) 0.753(3) 0.837(2) 0.10(2) Uani 1 1 d DU
C20 C -0.232(7) 0.592(3) 0.9895(16) 0.072(15) Uani 1 1 d U
C21 C -0.147(8) 0.623(3) 1.0222(19) 0.094(19) Uani 1 1 d DU
C26 C -0.570(5) 0.3407(18) 0.7790(13) 0.046(12) Uani 1 1 d .
C27 C -0.576(6) 0.278(2) 0.7634(18) 0.067(15) Uani 1 1 d U
C30 C -0.613(9) 0.168(3) 0.759(3) 0.12(2) Uani 1 1 d U
C31 C -0.574(8) 0.191(3) 0.721(2) 0.10(2) Uani 1 1 d U
C32 C -0.537(6) 0.362(3) 0.9510(15) 0.070(15) Uani 1 1 d U
C33 C -0.607(6) 0.317(3) 0.969(2) 0.088(17) Uani 1 1 d DU
C36 C -0.681(9) 0.255(4) 1.030(2) 0.114(3) Uani 1 1 d DU
C37 C -0.573(4) 0.4036(15) 0.8406(12) 0.028(9) Uani 1 1 d .
H37 H -0.5249 0.4311 0.8210 0.034 Uiso 1 1 calc R
C38 C -0.493(4) 0.4005(18) 0.8809(12) 0.035(10) Uani 1 1 d .
H38 H -0.4958 0.4405 0.8948 0.042 Uiso 1 1 calc R
C39 C -0.342(4) 0.3826(19) 0.8735(13) 0.038(10) Uani 1 1 d .
C41 C 0.397(6) 0.524(3) 0.6530(17) 0.080(16) Uani 1 1 d U
C45 C -0.122(8) 0.860(4) 0.817(3) 0.16(3) Uani 1 1 d DU
C50 C 0.421(7) 0.562(3) 0.6151(18) 0.112(14) Uani 1 1 d DU
C70 C 0.188(8) 0.720(4) 0.909(4) 0.17(4) Uani 1 1 d U
H70A H 0.2306 0.7559 0.9204 0.255 Uiso 1 1 calc R
H70B H 0.1406 0.6986 0.9310 0.255 Uiso 1 1 calc R
H70C H 0.1243 0.7316 0.8867 0.255 Uiso 1 1 calc R
C71 C 0.050(12) 0.365(5) 0.923(3) 0.17(3) Uani 1 1 d U
H71A H 0.0253 0.3298 0.9390 0.262 Uiso 1 1 calc R
H71B H 0.0378 0.4011 0.9400 0.262 Uiso 1 1 calc R
H71C H 0.1446 0.3622 0.9142 0.262 Uiso 1 1 calc R
C87 C 0.443(13) 0.603(3) 0.544(2) 0.164(18) Uani 1 1 d DU
C88 C 0.431(11) 0.649(3) 0.565(2) 0.15(2) Uani 1 1 d DU
C89 C -0.729(8) 0.222(3) 0.997(2) 0.103(19) Uani 1 1 d DU
C90 C -0.171(9) 0.857(4) 0.855(3) 0.14(3) Uani 1 1 d DU
C97 C 0.000(10) 0.691(4) 1.064(3) 0.146(6) Uani 1 1 d DU
C98 C -0.041(11) 0.646(4) 1.084(3) 0.140(6) Uani 1 1 d DU
O1 O -0.054(4) 0.5897(18) 0.7200(10) 0.070(11) Uani 1 1 d .
O2 O 0.129(3) 0.5400(14) 0.6923(8) 0.041(8) Uani 1 1 d .
O3 O 0.059(3) 0.4616(13) 0.7559(8) 0.041(7) Uani 1 1 d .
O4 O 0.107(3) 0.5283(13) 0.8055(7) 0.032(6) Uani 1 1 d .
O5 O 0.394(3) 0.5516(15) 0.7972(9) 0.048(8) Uani 1 1 d .
O6 O 0.563(3) 0.5195(16) 0.7548(10) 0.053(9) Uani 1 1 d .
O7 O -0.064(3) 0.5118(13) 0.8799(8) 0.040(7) Uani 1 1 d .
O8 O 0.040(3) 0.6021(14) 0.8796(10) 0.048(8) Uani 1 1 d .
O9 O 0.276(3) 0.4755(12) 0.8710(8) 0.038(7) Uani 1 1 d .
O10 O 0.184(3) 0.4026(13) 0.8298(10) 0.047(8) Uani 1 1 d .
O11 O -0.504(3) 0.5899(16) 0.8797(10) 0.055(9) Uani 1 1 d .
O12 O -0.470(3) 0.6604(17) 0.9308(11) 0.063(10) Uani 1 1 d .
O13 O -0.195(3) 0.6646(15) 0.8727(9) 0.046(8) Uani 1 1 d .
O14 O -0.219(3) 0.6133(14) 0.9507(8) 0.045(8) Uani 1 1 d .
O15 O -0.102(4) 0.657(2) 0.8064(11) 0.075(12) Uani 1 1 d .
O16 O -0.325(7) 0.555(3) 0.995(2) 0.142(5) Uani 1 1 d U
O17 O 0.185(4) 0.6581(14) 0.8055(11) 0.059(10) Uani 1 1 d .
H101 H 0.1362 0.6288 0.7966 0.071 Uiso 1 1 d R
H102 H 0.1351 0.6897 0.8066 0.071 Uiso 1 1 d R
O18 O 0.293(4) 0.6806(15) 0.8903(14) 0.080(12) Uani 1 1 d U
O19 O 0.260(4) 0.562(2) 0.9374(11) 0.087(13) Uani 1 1 d .
H103 H 0.2779 0.5243 0.9369 0.105 Uiso 1 1 d R
H104 H 0.1735 0.5663 0.9383 0.105 Uiso 1 1 d R
O20 O -0.128(6) 0.363(2) 0.7797(16) 0.124(17) Uani 1 1 d U
H105 H -0.1807 0.3457 0.7618 0.149 Uiso 1 1 d R
H106 H -0.0535 0.3717 0.7666 0.149 Uiso 1 1 d R
O21 O -0.278(3) 0.4189(14) 0.8489(10) 0.054(8) Uani 1 1 d .
O23 O -0.554(5) 0.3841(17) 0.7569(11) 0.082(12) Uani 1 1 d U
O24 O -0.574(3) 0.3449(11) 0.8217(8) 0.035(7) Uani 1 1 d .
O25 O -0.466(6) 0.399(2) 0.9673(13) 0.097(14) Uani 1 1 d U
O26 O -0.562(3) 0.3567(14) 0.9084(8) 0.044(8) Uani 1 1 d .
O27 O 0.393(3) 0.5520(17) 0.6882(9) 0.053(9) Uani 1 1 d U
O28 O -0.190(3) 0.5152(13) 0.7907(9) 0.040(7) Uani 1 1 d .
H107 H -0.1128 0.5249 0.7803 0.048 Uiso 1 1 d R
H108 H -0.2494 0.5401 0.7810 0.048 Uiso 1 1 d R
O29 O -0.036(4) 0.3693(18) 0.8847(13) 0.087(12) Uani 1 1 d U
O30 O 0.385(6) 0.469(3) 0.6485(17) 0.123(17) Uani 1 1 d U
O42 O -0.297(3) 0.3363(16) 0.8900(12) 0.069(11) Uani 1 1 d .
C28A C -0.544(6) 0.262(2) 0.7134(15) 0.109(15) Uani 0.33 1 d P
C28B C -0.627(3) 0.2214(9) 0.7975(10) 0.129(11) Uani 0.67 1 d P
S3A S -0.544(6) 0.262(2) 0.7134(15) 0.109(15) Uani 0.33 1 d P
S3B S -0.627(3) 0.2214(9) 0.7975(10) 0.129(11) Uani 0.67 1 d P
C35A C -0.687(4) 0.2572(15) 0.9512(12) 0.115(11) Uani 0.50 1 d P
S6A S -0.687(4) 0.2572(15) 0.9512(12) 0.115(11) Uani 0.50 1 d P
C35B C -0.606(4) 0.3116(19) 1.0263(10) 0.120(11) Uani 0.50 1 d PU
S6B S -0.606(4) 0.3116(19) 1.0263(10) 0.120(11) Uani 0.50 1 d P
C99A C -0.159(7) 0.601(3) 1.070(2) 0.14(2) Uiso 0.33 1 d P
C99B C -0.066(4) 0.6860(15) 1.0112(10) 0.139(10) Uiso 0.67 1 d P
S2A S -0.159(7) 0.601(3) 1.070(2) 0.14(2) Uiso 0.33 1 d P
S2B S -0.066(4) 0.6860(15) 1.0112(10) 0.139(10) Uiso 0.67 1 d P
C18A C -0.187(5) 0.7929(16) 0.8746(17) 0.119(16) Uani 0.40 1 d P
C18B C -0.091(3) 0.7952(15) 0.7953(10) 0.132(10) Uani 0.60 1 d P
S4A S -0.187(5) 0.7929(16) 0.8746(17) 0.119(16) Uani 0.40 1 d P
S4B S -0.091(3) 0.7952(15) 0.7953(10) 0.132(10) Uani 0.60 1 d P
C3A C 0.032(4) 0.5340(16) 0.6052(8) 0.118(10) Uani 0.60 1 d P
C3B C -0.205(3) 0.5903(19) 0.6363(10) 0.094(11) Uani 0.40 1 d PD
S1B S -0.205(3) 0.5903(19) 0.6363(10) 0.094(11) Uani 0.40 1 d P
S1A S 0.032(4) 0.5340(16) 0.6052(8) 0.118(10) Uani 0.60 1 d P
C48A C 0.430(6) 0.535(3) 0.5678(14) 0.151(13) Uani 0.40 1 d PDU
C48B C 0.425(4) 0.6318(16) 0.6151(10) 0.137(10) Uani 0.60 1 d PDU
S5B S 0.425(4) 0.6318(16) 0.6151(10) 0.137(10) Uani 0.60 1 d PU
S5A S 0.430(6) 0.535(3) 0.5678(14) 0.151(13) Uani 0.40 1 d PU
Eu1 Eu 0.26799(18) 0.57943(9) 0.85717(6) 0.0321(5) Uani 1 1 d .
Eu2 Eu -0.04989(19) 0.43898(9) 0.82579(6) 0.0341(5) Uani 1 1 d .
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'
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'
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
C2 C1 C3B 118(6) . .
C1 C2 C3A 120(6) . .
C5 C4 C3B 121(4) . .
C5 C4 C3A 121(4) . .
C3B C4 C3A 117(3) . .
O1 C5 O2 124(4) . .
O1 C5 C4 122(4) . .
O2 C5 C4 113(3) . .
O3 C6 O4 122(4) . .
O3 C6 C7 117(3) . .
O4 C6 C7 121(4) . .
O3 C6 Eu2 59(2) . .
O4 C6 Eu2 63(2) . .
C7 C6 Eu2 175(3) . .
O2 C7 C8 103(3) . .
O2 C7 C6 111(3) . .
C8 C7 C6 114(3) . .
O27 C8 C7 107(3) . .
O27 C8 C9 106(3) . .
C7 C8 C9 113(3) . .
O6 C9 O5 126(4) . .
O6 C9 C8 116(3) . .
O5 C9 C8 118(3) . .
O9 C10 O10 126(3) . .
O9 C10 C37 116(3) . 1_655
O10 C10 C37 119(3) . 1_655
O8 C12 O7 125(4) . .
O8 C12 C13 119(4) . .
O7 C12 C13 115(4) . .
O13 C13 C14 106(3) . .
O13 C13 C12 112(3) . .
C14 C13 C12 113(3) . .
O14 C14 C13 105(3) . .
O14 C14 C15 113(3) . .
C13 C14 C15 111(3) . .
O12 C15 O11 126(4) . .
O12 C15 C14 121(4) . .
O11 C15 C14 113(4) . .
O15 C16 O13 125(5) . .
O15 C16 C17 127(5) . .
O13 C16 C17 108(5) . .
C16 C17 C18A 128(5) . .
C16 C17 C18B 120(5) . .
C18A C17 C18B 112(4) . .
O16 C20 O14 115(5) . .
O16 C20 C21 129(6) . .
O14 C20 C21 115(5) . .
C20 C21 C99A 118(6) . .
C20 C21 C99B 121(5) . .
C99A C21 C99B 120(5) . .
O23 C26 O24 122(4) . .
O23 C26 C27 125(4) . .
O24 C26 C27 113(4) . .
C26 C27 C28A 121(5) . .
C26 C27 C28B 119(4) . .
C28A C27 C28B 120(4) . .
C31 C30 C28B 113(6) . .
C30 C31 C28A 123(6) . .
O25 C32 C33 129(5) . .
O25 C32 O26 125(5) . .
C33 C32 O26 105(5) . .
C32 C33 C35A 135(5) . .
C32 C33 C35B 118(5) . .
C35A C33 C35B 107(4) . .
C89 C36 C35B 126(6) . .
O24 C37 C38 108(3) . .
O24 C37 C10 113(3) . 1_455
C38 C37 C10 112(3) . 1_455
O26 C38 C37 107(3) . .
O26 C38 C39 111(3) . .
C37 C38 C39 113(3) . .
O42 C39 O21 127(4) . .
O42 C39 C38 119(4) . .
O21 C39 C38 114(3) . .
O30 C41 O27 125(6) . .
O30 C41 C50 119(6) . .
O27 C41 C50 116(6) . .
C90 C45 C18B 115(6) . .
C41 C50 C48B 125(5) . .
C41 C50 C48A 124(5) . .
C48B C50 C48A 111(4) . .
C88 C87 C48A 120(6) . .
C87 C88 C48B 109(6) . .
C36 C89 C35A 109(5) . .
C45 C90 C18A 117(7) . .
C98 C97 C99B 108(7) . .
C97 C98 C99A 127(8) . .
C5 O2 C7 115(3) . .
C6 O3 Eu2 96(2) . .
C6 O4 Eu1 135(2) . .
C6 O4 Eu2 91(2) . .
Eu1 O4 Eu2 123.7(9) . .
C9 O5 Eu1 169(3) . .
C12 O7 Eu2 133(2) . .
C12 O8 Eu1 130(3) . .
C10 O9 Eu1 134(2) . .
C10 O10 Eu2 127(2) . .
C15 O11 Eu1 140(3) . 1_455
C16 O13 C13 116(3) . .
C20 O14 C14 123(4) . .
C70 O18 Eu1 129(4) . .
C39 O21 Eu2 139(3) . .
C26 O24 C37 118(3) . .
C32 O26 C38 116(4) . .
C41 O27 C8 117(4) . .
C71 O29 Eu2 134(5) . .
C31 C28A C27 92(4) . .
C30 C28B C27 92(4) . .
C33 C35A C89 101(4) . .
C36 C35B C33 97(4) . .
C21 C99A C98 90(5) . .
C21 C99B C97 92(4) . .
C17 C18A C90 100(5) . .
C45 C18B C17 96(4) . .
C4 C3A C2 90(3) . .
C4 C3B C1 94(4) . .
C50 C48A C87 95(4) . .
C50 C48B C88 104(4) . .
O5 Eu1 O9 82.7(11) . .
O5 Eu1 O11 76.4(10) . 1_655
O9 Eu1 O11 90.5(11) . 1_655
O5 Eu1 O8 141.8(10) . .
O9 Eu1 O8 100.5(10) . .
O11 Eu1 O8 140.9(10) 1_655 .
O5 Eu1 O18 121.5(13) . .
O9 Eu1 O18 143.6(12) . .
O11 Eu1 O18 72.0(12) 1_655 .
O8 Eu1 O18 77.4(12) . .
O5 Eu1 O17 80.4(11) . .
O9 Eu1 O17 144.1(10) . .
O11 Eu1 O17 115.6(12) 1_655 .
O8 Eu1 O17 75.2(11) . .
O18 Eu1 O17 71.3(12) . .
O5 Eu1 O4 72.3(9) . .
O9 Eu1 O4 72.6(9) . .
O11 Eu1 O4 145.9(10) 1_655 .
O8 Eu1 O4 72.5(9) . .
O18 Eu1 O4 137.3(11) . .
O17 Eu1 O4 72.2(10) . .
O5 Eu1 O19 140.7(12) . .
O9 Eu1 O19 70.8(12) . .
O11 Eu1 O19 75.3(12) 1_655 .
O8 Eu1 O19 73.3(12) . .
O18 Eu1 O19 73.8(15) . .
O17 Eu1 O19 137.0(13) . .
O4 Eu1 O19 123.3(12) . .
O5 Eu1 Eu2 90.5(8) . .
O9 Eu1 Eu2 52.2(7) . .
O11 Eu1 Eu2 142.1(9) 1_655 .
O8 Eu1 Eu2 64.1(7) . .
O18 Eu1 Eu2 141.4(9) . .
O17 Eu1 Eu2 96.4(8) . .
O4 Eu1 Eu2 28.5(6) . .
O19 Eu1 Eu2 95.3(10) . .
O20 Eu2 O7 156.9(15) . .
O20 Eu2 O21 75.5(15) . .
O7 Eu2 O21 81.5(11) . .
O20 Eu2 O29 92.0(17) . .
O7 Eu2 O29 83.5(13) . .
O21 Eu2 O29 72.6(12) . .
O20 Eu2 O10 95.9(16) . .
O7 Eu2 O10 104.2(11) . .
O21 Eu2 O10 143.5(10) . .
O29 Eu2 O10 72.3(13) . .
O20 Eu2 O28 91.8(16) . .
O7 Eu2 O28 79.6(10) . .
O21 Eu2 O28 74.7(10) . .
O29 Eu2 O28 145.0(12) . .
O10 Eu2 O28 141.7(10) . .
O20 Eu2 O3 74.9(14) . .
O7 Eu2 O3 121.7(10) . .
O21 Eu2 O3 134.9(10) . .
O29 Eu2 O3 141.2(13) . .
O10 Eu2 O3 72.9(10) . .
O28 Eu2 O3 73.0(9) . .
O20 Eu2 O4 126.1(13) . .
O7 Eu2 O4 71.9(9) . .
O21 Eu2 O4 140.7(10) . .
O29 Eu2 O4 130.1(12) . .
O10 Eu2 O4 72.7(9) . .
O28 Eu2 O4 72.5(9) . .
O3 Eu2 O4 51.2(9) . .
O20 Eu2 C6 100.1(15) . .
O7 Eu2 C6 97.1(11) . .
O21 Eu2 C6 144.8(10) . .
O29 Eu2 C6 142.4(13) . .
O10 Eu2 C6 71.2(10) . .
O28 Eu2 C6 70.5(10) . .
O3 Eu2 C6 25.2(10) . .
O4 Eu2 C6 25.9(9) . .
O20 Eu2 Eu1 148.5(12) . .
O7 Eu2 Eu1 53.9(7) . .
O21 Eu2 Eu1 135.1(8) . .
O29 Eu2 Eu1 103.5(11) . .
O10 Eu2 Eu1 64.2(7) . .
O28 Eu2 Eu1 90.9(7) . .
O3 Eu2 Eu1 75.9(7) . .
O4 Eu2 Eu1 27.8(5) . .
C6 Eu2 Eu1 51.7(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.20(10) .
C1 C3B 1.61(8) .
C2 C3A 1.68(8) .
C4 C5 1.49(6) .
C4 C3B 1.61(6) .
C4 C3A 1.66(5) .
C5 O1 1.22(5) .
C5 O2 1.33(5) .
C6 O3 1.23(5) .
C6 O4 1.26(4) .
C6 C7 1.54(5) .
C6 Eu2 2.88(4) .
C7 O2 1.43(4) .
C7 C8 1.53(5) .
C8 O27 1.44(5) .
C8 C9 1.56(5) .
C9 O6 1.23(5) .
C9 O5 1.27(5) .
C10 O9 1.26(4) .
C10 O10 1.26(4) .
C10 C37 1.52(5) 1_655
C12 O8 1.24(5) .
C12 O7 1.27(5) .
C12 C13 1.53(6) .
C13 O13 1.42(5) .
C13 C14 1.50(5) .
C14 O14 1.45(5) .
C14 C15 1.50(5) .
C15 O12 1.26(5) .
C15 O11 1.26(5) .
C16 O15 1.18(6) .
C16 O13 1.37(5) .
C16 C17 1.47(8) .
C17 C18A 1.51(8) .
C17 C18B 1.68(6) .
C20 O16 1.23(8) .
C20 O14 1.30(6) .
C20 C21 1.48(8) .
C21 C99A 1.58(8) .
C21 C99B 1.62(8) .
C26 O23 1.19(5) .
C26 O24 1.34(5) .
C26 C27 1.45(6) .
C27 C28A 1.63(7) .
C27 C28B 1.71(6) .
C30 C31 1.34(11) .
C30 C28B 1.68(8) .
C31 C28A 1.61(9) .
C32 O25 1.19(7) .
C32 C33 1.32(8) .
C32 O26 1.35(6) .
C33 C35A 1.62(8) .
C33 C35B 1.79(7) .
C36 C89 1.34(7) .
C36 C35B 1.44(8) .
C37 O24 1.42(4) .
C37 C38 1.48(5) .
C37 C10 1.52(5) 1_455
C38 O26 1.45(5) .
C38 C39 1.54(6) .
C39 O42 1.22(5) .
C39 O21 1.27(5) .
C41 O30 1.22(9) .
C41 O27 1.26(7) .
C41 C50 1.46(8) .
C45 C90 1.27(8) .
C45 C18B 1.59(9) .
C50 C48B 1.54(6) .
C50 C48A 1.59(6) .
C70 O18 1.46(8) .
C71 O29 1.46(11) .
C87 C88 1.23(8) .
C87 C48A 1.66(7) .
C88 C48B 1.60(6) .
C89 C35A 1.67(7) .
C90 C18A 1.54(9) .
C97 C98 1.24(8) .
C97 C99B 1.76(9) .
C98 C99A 1.58(11) .
O3 Eu2 2.48(3) .
O4 Eu1 2.51(2) .
O4 Eu2 2.57(3) .
O5 Eu1 2.32(3) .
O7 Eu2 2.33(3) .
O8 Eu1 2.38(3) .
O9 Eu1 2.32(3) .
O10 Eu2 2.42(3) .
O11 Eu1 2.35(3) 1_455
O17 Eu1 2.49(3) .
O18 Eu1 2.46(3) .
O19 Eu1 2.53(3) .
O20 Eu2 2.33(5) .
O21 Eu2 2.38(3) .
O28 Eu2 2.42(3) .
O29 Eu2 2.39(4) .
Eu1 O11 2.35(3) 1_655
Eu1 Eu2 4.478(3) .
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 -0.065 0.330 0.681 297.4 17.5
2 0.107 -0.031 0.529 30.4 4.4
3 0.064 0.830 0.819 297.5 17.1
4 -0.107 0.469 0.971 30.3 5.1
5 0.435 0.170 0.319 297.6 18.5
6 0.564 0.670 0.180 297.7 18.0
7 0.393 0.031 0.029 30.4 4.6
8 0.607 0.531 0.471 30.4 4.6
