#------------------------------------------------------------------------------
#$Date: 2019-11-24 10:04:36 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237567 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/72/7237294.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_7237294
loop_
_publ_author_name
'Bartolomé, E.'
'Bartolomé, J.'
'Arauzo, A.'
'Luzón, J.'
'Cases, R.'
'Fuertes, S.'
'Sicilia, V.'
'Sánchez-Cano, A. I.'
'Aporta, J.'
'Melnic, S.'
'Prodius, D.'
'Shova, S.'
_publ_section_title
;
 Heteronuclear {TbxEu1−x} furoate 1D polymers presenting
 luminescent properties and SMM behavior
;
_journal_issue                   19
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              5286
_journal_paper_doi               10.1039/C8TC00832A
_journal_volume                  6
_journal_year                    2018
_chemical_formula_moiety         'C15 H15 Eu O12'
_chemical_formula_sum            'C15 H15 Eu O12'
_chemical_formula_weight         539.23
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2015-11-15
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_audit_update_record
;
2015-11-24 deposited with the CCDC.
2018-04-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 100.064(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.0253(17)
_cell_length_b                   15.9315(9)
_cell_length_c                   10.2459(7)
_cell_measurement_reflns_used    3195
_cell_measurement_temperature    160.1(6)
_cell_measurement_theta_max      28.6710
_cell_measurement_theta_min      1.8460
_cell_volume                     3539.9(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      160.1(6)
_diffrn_detector_area_resol_mean 16.1593
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -41.00  -12.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1690   77.0000    0.0000 29

#__ type_ start__ end____ width___ exp.time_
  2 omega  -91.00  -64.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1690 -178.0000   30.0000 27

#__ type_ start__ end____ width___ exp.time_
  3 omega  -46.00   41.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6690  -38.0000    0.0000 87

#__ type_ start__ end____ width___ exp.time_
  4 omega  -53.00   31.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6690  -38.0000  120.0000 84
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0262169000
_diffrn_orient_matrix_UB_12      -0.0233698000
_diffrn_orient_matrix_UB_13      -0.0297344000
_diffrn_orient_matrix_UB_21      -0.0001685000
_diffrn_orient_matrix_UB_22      0.0216409000
_diffrn_orient_matrix_UB_23      -0.0606962000
_diffrn_orient_matrix_UB_31      0.0194946000
_diffrn_orient_matrix_UB_32      -0.0310989000
_diffrn_orient_matrix_UB_33      -0.0197460000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_unetI/netI     0.0526
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6257
_diffrn_reflns_theta_full        24.41
_diffrn_reflns_theta_max         24.41
_diffrn_reflns_theta_min         1.59
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.610
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.024
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2112
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.958
_refine_diff_density_min         -1.683
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2897
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0279P)²+40.4999P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0901
_refine_ls_wR_factor_ref         0.0938
_reflns_number_gt                2547
_reflns_number_total             2897
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8tc00832a2.cif
_cod_data_source_block           shi_2676_sime
_cod_database_code               7237294
_chemical_oxdiff_formula         'C18 H20 O15 Eu1'
_chemical_oxdiff_usercomment     Eu_Fur
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 O4W-H4WA = O4W-H4WB = O3W-H3WB = O3W-H3WA
 0.86 with sigma of 0.01
 H4WA-H4WB
 1.4 with sigma of 0.01
 H3WB-H3WA
 1.4 with sigma of 0.01
 O7-C11 \\sim O7X-C11X
 with sigma of 0.01
 O8X-C11X \\sim O8-C11
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uiso(O7) = Uiso(O8) = Uiso(O7X) = Uiso(O8X)
Uanis(C12X) = Uanis(C13X) = Uanis(C14X) = Uanis(C15X) = Uanis(O9X) = Uanis(C13)
= Uanis(C14) = Uanis(C15) = Uanis(O9) = Uanis(C12) = Uanis(C11) = Uanis(C11X)
4. Others
 Fixed Sof: O3W(0.5) H3WA(0.5) H3WB(0.5) O7(0.5) O8(0.5) C11(0.5) C13(0.5)
 H13(0.5) C14(0.5) H14(0.5) C15(0.5) H15(0.5) O9(0.5) C12(0.5) O4W(0.5)
 H4WA(0.5) H4WB(0.5) O7X(0.5) O8X(0.5) O9X(0.5) C11X(0.5) C12X(0.5) C13X(0.5)
 H13X(0.5) C14X(0.5) H14X(0.5) C15X(0.5) H15X(0.5)
5.a Riding coordinates:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C13(H13), C14(H14),
 C15(H15), C13X(H13X), C14X(H14X), C15X(H15X)
5.c Fitted pentagon refined as free rotating group:
 C13(C14,C15,O9,C12)
;
_olex2_date_sample_data_collection 2014-08-05
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 'x+1/2, -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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Eu1 Eu 0.255748(14) 0.243995(19) 0.74814(3) 0.01557(14) Uani 1 d . . .
O1 O 0.3190(2) 0.1652(3) 0.9129(5) 0.0263(11) Uani 1 d A . .
O1W O 0.2776(2) 0.1058(3) 0.6377(4) 0.0209(10) Uani 1 d A . .
H1WA H 0.3085 0.0785 0.6810 0.031 Uiso 1 d . . R
H1WB H 0.2533 0.0652 0.6585 0.031 Uiso 1 d . . R
O2 O 0.3094(2) 0.2003(3) 1.1179(5) 0.0266(11) Uani 1 d . . .
O2W O 0.2374(2) 0.3788(3) 0.6386(5) 0.0251(11) Uani 1 d A . .
H2WA H 0.2458 0.3767 0.5582 0.038 Uiso 1 d . . R
H2WB H 0.2608 0.4175 0.6827 0.038 Uiso 1 d . . R
O3 O 0.3933(2) 0.0351(3) 1.0013(4) 0.0241(11) Uani 1 d A . .
O4 O 0.3496(2) 0.2497(3) 0.6632(5) 0.0201(10) Uani 1 d A . .
O5 O 0.3147(2) 0.2692(3) 0.4484(5) 0.0271(11) Uani 1 d . . .
O6 O 0.46690(19) 0.2354(3) 0.6199(5) 0.0214(10) Uani 1 d A . .
C1 C 0.3291(3) 0.1539(4) 1.0361(6) 0.0159(14) Uani 1 d . . .
C2 C 0.3667(3) 0.0823(4) 1.0887(6) 0.0169(14) Uani 1 d A . .
C3 C 0.3815(3) 0.0496(4) 1.2118(7) 0.0221(15) Uani 1 d . . .
H3 H 0.3700 0.0708 1.2885 0.027 Uiso 1 calc A . R
C4 C 0.4181(3) -0.0236(4) 1.2028(7) 0.0252(16) Uani 1 d A . .
H4 H 0.4341 -0.0604 1.2705 0.030 Uiso 1 calc . . R
C5 C 0.4242(3) -0.0274(4) 1.0745(8) 0.0300(17) Uani 1 d . . .
H5 H 0.4471 -0.0683 1.0399 0.036 Uiso 1 calc A . R
C6 C 0.3571(3) 0.2553(4) 0.5452(7) 0.0186(15) Uani 1 d . . .
C7 C 0.4198(3) 0.2454(4) 0.5153(7) 0.0198(15) Uani 1 d A . .
C8 C 0.4414(3) 0.2448(5) 0.4010(8) 0.0322(19) Uani 1 d . . .
H8 H 0.4186 0.2503 0.3160 0.039 Uiso 1 calc A . R
C9 C 0.5060(3) 0.2341(5) 0.4360(8) 0.037(2) Uani 1 d A . .
H9 H 0.5341 0.2308 0.3782 0.045 Uiso 1 calc . . R
C10 C 0.5189(3) 0.2298(4) 0.5671(8) 0.0291(17) Uani 1 d . . .
H10 H 0.5583 0.2237 0.6162 0.035 Uiso 1 calc A . R
O3W O 0.1803(5) 0.1365(8) 0.7911(12) 0.021(3) Uiso 0.50 d A 1 D
H3WA H 0.1743 0.1371 0.8743 0.031 Uiso 0.50 d A 1 DR
H3WB H 0.1984 0.0886 0.7812 0.031 Uiso 0.50 d A 1 DR
O7 O 0.3232(6) 0.3505(7) 0.8739(12) 0.0229(13) Uiso 0.50 d A 1 D
O8 O 0.2960(5) 0.4851(6) 0.7936(11) 0.0229(13) Uiso 0.50 d A 1 D
C11 C 0.3277(6) 0.4333(7) 0.8744(13) 0.0257(9) Uani 0.50 d A 1 D
C13 C 0.3807(4) 0.5486(5) 1.0292(9) 0.0257(9) Uani 0.50 d A 1 .
H13 H 0.3597 0.5963 0.9938 0.031 Uiso 0.50 calc A 1 R
C14 C 0.4273(4) 0.5457(5) 1.1440(9) 0.0257(9) Uani 0.50 d A 1 G
H14 H 0.4422 0.5912 1.1969 0.031 Uiso 0.50 calc A 1 R
C15 C 0.4472(4) 0.4611(5) 1.1637(8) 0.0257(9) Uani 0.50 d A 1 G
H15 H 0.4774 0.4415 1.2318 0.031 Uiso 0.50 calc A 1 R
O9 O 0.4129(4) 0.4118(4) 1.0611(9) 0.0257(9) Uani 0.50 d A 1 G
C12 C 0.3718(4) 0.4658(6) 0.9780(8) 0.0257(9) Uani 0.50 d A 1 G
O4W O 0.3136(5) 0.3469(7) 0.8987(11) 0.021(3) Uiso 0.50 d A 2 D
H4WA H 0.3099 0.3357 0.9791 0.031 Uiso 0.50 d A 2 DR
H4WB H 0.3001 0.3969 0.8792 0.031 Uiso 0.50 d A 2 DR
O7X O 0.1907(6) 0.1365(8) 0.8160(14) 0.0229(13) Uiso 0.50 d A 2 D
O8X O 0.1926(5) 0.0072(6) 0.7033(12) 0.0229(13) Uiso 0.50 d A 2 D
O9X O 0.0886(5) 0.0764(7) 0.9050(11) 0.0257(9) Uani 0.50 d A 2 .
C11X C 0.1684(6) 0.0612(7) 0.7731(14) 0.0257(9) Uani 0.50 d A 2 D
C12X C 0.1163(6) 0.0244(9) 0.8309(15) 0.0257(9) Uani 0.50 d A 2 .
C13X C 0.0929(6) -0.0537(9) 0.8358(15) 0.0257(9) Uani 0.50 d A 2 .
H13X H 0.1033 -0.1018 0.7932 0.031 Uiso 0.50 calc A 2 R
C14X C 0.0485(6) -0.0454(9) 0.9216(14) 0.0257(9) Uani 0.50 d A 2 .
H14X H 0.0243 -0.0884 0.9465 0.031 Uiso 0.50 calc A 2 R
C15X C 0.0477(6) 0.0331(9) 0.9591(14) 0.0257(9) Uani 0.50 d A 2 .
H15X H 0.0225 0.0551 1.0148 0.031 Uiso 0.50 calc A 2 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'
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
O1 Eu1 O1W 74.06(15) . .
O1 Eu1 O2W 146.48(17) . .
O1 Eu1 O4 80.78(16) . .
O1 Eu1 O3W 80.5(3) . .
O1 Eu1 O7 76.4(3) . .
O1 Eu1 O4W 74.2(3) . .
O1 Eu1 O7X 73.8(4) . .
O2 Eu1 O1 97.40(16) 7_557 .
O2 Eu1 O1W 140.48(15) 7_557 .
O2 Eu1 O2W 82.26(15) 7_557 .
O2 Eu1 O4 149.90(16) 7_557 .
O2 Eu1 O5 99.08(16) 7_557 7_556
O2 Eu1 O3W 69.9(3) 7_557 .
O2 Eu1 O7 78.9(3) 7_557 .
O2 Eu1 O4W 71.4(2) 7_557 .
O2 Eu1 O7X 69.0(3) 7_557 .
O2W Eu1 O1W 125.90(15) . .
O2W Eu1 O3W 129.2(3) . .
O2W Eu1 O7 70.6(3) . .
O2W Eu1 O4W 74.0(3) . .
O4 Eu1 O1W 68.23(14) . .
O4 Eu1 O2W 83.21(14) . .
O4 Eu1 O3W 138.0(3) . .
O4 Eu1 O7 71.5(3) . .
O4 Eu1 O4W 79.3(2) . .
O4 Eu1 O7X 136.9(3) . .
O5 Eu1 O1 142.55(16) 7_556 .
O5 Eu1 O1W 71.82(16) 7_556 .
O5 Eu1 O2W 69.38(17) 7_556 .
O5 Eu1 O4 100.23(16) 7_556 .
O5 Eu1 O3W 74.0(3) 7_556 .
O5 Eu1 O7 139.8(3) 7_556 .
O5 Eu1 O4W 143.1(3) 7_556 .
O5 Eu1 O7X 81.1(4) 7_556 .
O3W Eu1 O1W 70.6(3) . .
O7 Eu1 O1W 132.9(3) . .
O7 Eu1 O3W 138.1(4) . .
O4W Eu1 O1W 137.4(3) . .
O4W Eu1 O3W 129.9(4) . .
O4W Eu1 O7 8.5(4) . .
O7X Eu1 O1W 71.6(3) . .
O7X Eu1 O2W 134.7(4) . .
O7X Eu1 O3W 7.1(5) . .
O7X Eu1 O7 132.2(4) . .
O7X Eu1 O4W 124.3(4) . .
C1 O1 Eu1 140.9(4) . .
Eu1 O1W H1WA 113.5 . .
Eu1 O1W H1WB 110.7 . .
H1WA O1W H1WB 87.8 . .
C1 O2 Eu1 160.4(4) . 7_557
Eu1 O2W H2WA 110.8 . .
Eu1 O2W H2WB 110.5 . .
H2WA O2W H2WB 108.1 . .
C5 O3 C2 105.7(5) . .
C6 O4 Eu1 128.7(4) . .
C6 O5 Eu1 163.3(4) . 7_556
C10 O6 C7 106.0(5) . .
O1 C1 C2 118.3(5) . .
O2 C1 O1 124.5(6) . .
O2 C1 C2 117.2(6) . .
O3 C2 C1 117.7(5) . .
C3 C2 O3 109.7(5) . .
C3 C2 C1 132.6(6) . .
C2 C3 H3 126.3 . .
C2 C3 C4 107.5(6) . .
C4 C3 H3 126.3 . .
C3 C4 H4 127.6 . .
C5 C4 C3 104.7(6) . .
C5 C4 H4 127.6 . .
O3 C5 H5 123.8 . .
C4 C5 O3 112.3(6) . .
C4 C5 H5 123.8 . .
O4 C6 O5 124.7(6) . .
O4 C6 C7 118.6(6) . .
O5 C6 C7 116.6(6) . .
O6 C7 C6 117.4(6) . .
C8 C7 O6 110.4(6) . .
C8 C7 C6 132.2(7) . .
C7 C8 H8 127.0 . .
C7 C8 C9 105.9(7) . .
C9 C8 H8 127.0 . .
C8 C9 H9 126.6 . .
C10 C9 C8 106.9(6) . .
C10 C9 H9 126.6 . .
O6 C10 H10 124.6 . .
C9 C10 O6 110.9(7) . .
C9 C10 H10 124.6 . .
Eu1 O3W H3WA 112.5 . .
Eu1 O3W H3WB 104.4 . .
H3WA O3W H3WB 105.6 . .
Eu1 O7 H4WA 96.6 . .
Eu1 O7 H4WB 107.4 . .
C11 O7 Eu1 136.6(10) . .
C11 O7 H4WA 103.0 . .
C11 O7 H4WB 39.4 . .
H4WA O7 H4WB 82.9 . .
O7 C11 C12 114.3(11) . .
O7 C11 H4WB 42.6 . .
O8 C11 O7 127.3(13) . .
O8 C11 C12 118.4(10) . .
O8 C11 H4WB 99.3 . .
C12 C11 H4WB 128.0 . .
C14 C13 H13 126.0 . .
C12 C13 H13 126.0 . .
C12 C13 C14 108.0 . .
C13 C14 H14 126.0 . .
C15 C14 C13 108.0 . .
C15 C14 H14 126.0 . .
C14 C15 H15 126.0 . .
C14 C15 O9 108.0 . .
O9 C15 H15 126.0 . .
C15 O9 C12 108.0 . .
C11 C12 C13 130.8(8) . .
C11 C12 O9 120.8(8) . .
C13 C12 O9 108.0 . .
Eu1 O4W H4WA 109.8 . .
Eu1 O4W H4WB 110.6 . .
H4WA O4W H4WB 109.0 . .
Eu1 O7X H3WA 127.8 . .
Eu1 O7X H3WB 109.5 . .
H3WA O7X H3WB 119.6 . .
C11X O7X Eu1 137.9(10) . .
C11X O7X H3WA 94.3 . .
C11X O7X H3WB 33.8 . .
C15X O9X C12X 108.9(11) . .
H3WA C11X H3WB 62.3 . .
O7X C11X H3WA 28.2 . .
O7X C11X H3WB 38.2 . .
O7X C11X C12X 118.7(11) . .
O8X C11X H3WA 151.3 . .
O8X C11X H3WB 90.5 . .
O8X C11X O7X 128.0(11) . .
O8X C11X C12X 112.1(11) . .
C12X C11X H3WA 91.1 . .
C12X C11X H3WB 149.8 . .
O9X C12X C11X 115.9(11) . .
O9X C12X C13X 109.5(12) . .
C13X C12X C11X 134.2(12) . .
C12X C13X H13X 127.9 . .
C12X C13X C14X 104.1(12) . .
C14X C13X H13X 127.9 . .
C13X C14X H14X 125.8 . .
C15X C14X C13X 108.3(13) . .
C15X C14X H14X 125.8 . .
O9X C15X H15X 125.4 . .
C14X C15X O9X 109.2(12) . .
C14X C15X H15X 125.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O1 2.354(5) .
Eu1 O1W 2.559(4) .
Eu1 O2 2.327(4) 7_557
Eu1 O2W 2.425(4) .
Eu1 O4 2.381(4) .
Eu1 O5 2.328(5) 7_556
Eu1 O3W 2.478(13) .
Eu1 O7 2.466(12) .
Eu1 O4W 2.450(12) .
Eu1 O7X 2.413(13) .
O1 C1 1.256(7) .
O1W H1WA 0.8626 .
O1W H1WB 0.8896 .
O2 Eu1 2.327(4) 7_557
O2 C1 1.252(7) .
O2W H2WA 0.8760 .
O2W H2WB 0.8750 .
O3 C2 1.376(7) .
O3 C5 1.356(8) .
O4 C6 1.252(8) .
O5 Eu1 2.327(5) 7_556
O5 C6 1.257(8) .
O6 C7 1.365(8) .
O6 C10 1.352(7) .
C1 C2 1.457(9) .
C2 C3 1.351(9) .
C3 H3 0.9300 .
C3 C4 1.430(9) .
C4 H4 0.9300 .
C4 C5 1.346(10) .
C5 H5 0.9300 .
C6 C7 1.473(9) .
C7 C8 1.339(9) .
C8 H8 0.9300 .
C8 C9 1.417(11) .
C9 H9 0.9300 .
C9 C10 1.325(12) .
C10 H10 0.9300 .
O3W H3WA 0.8855 .
O3W H3WB 0.8756 .
O7 C11 1.322(14) .
O7 H4WA 1.1898 .
O7 H4WB 0.9037 .
O8 C11 1.287(14) .
C11 C12 1.406(15) .
C11 H4WB 0.8478 .
C13 H13 0.9300 .
C13 C14 1.4200 .
C13 C12 1.4200 .
C14 H14 0.9300 .
C14 C15 1.4200 .
C15 H15 0.9300 .
C15 O9 1.4200 .
O9 C12 1.4200 .
O4W H4WA 0.8609 .
O4W H4WB 0.8616 .
O7X H3WA 0.7500 .
O7X H3WB 0.8714 .
O7X C11X 1.340(15) .
O8X C11X 1.291(13) .
O9X C12X 1.340(16) .
O9X C15X 1.331(17) .
C11X H3WB 0.7834 .
C11X C12X 1.500(17) .
C12X C13X 1.351(19) .
C13X H13X 0.9300 .
C13X C14X 1.432(18) .
C14X H14X 0.9300 .
C14X C15X 1.31(2) .
C15X H15X 0.9300 .
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
Eu1 O1 C1 O2 -13.2(11) .
Eu1 O1 C1 C2 167.3(4) .
Eu1 O2 C1 O1 86.8(14) 7_557
Eu1 O2 C1 C2 -93.7(14) 7_557
Eu1 O4 C6 O5 9.0(9) .
Eu1 O4 C6 C7 -171.2(4) .
Eu1 O5 C6 O4 -115.9(13) 7_556
Eu1 O5 C6 C7 64.3(16) 7_556
Eu1 O7 C11 O8 -5(2) .
Eu1 O7 C11 C12 173.7(8) .
Eu1 O7X C11X O8X 28(3) .
Eu1 O7X C11X C12X -165.4(11) .
O1 Eu1 O4 C6 150.4(5) .
O1 Eu1 O7 C11 -174.3(14) .
O1 Eu1 O7X C11X -99.1(16) .
O1 C1 C2 O3 5.3(8) .
O1 C1 C2 C3 -173.8(7) .
O1W Eu1 O1 C1 -149.0(7) .
O1W Eu1 O4 C6 73.9(5) .
O1W Eu1 O7 C11 133.3(12) .
O1W Eu1 O7X C11X -20.9(15) .
O2 Eu1 O1 C1 -8.5(7) 7_557
O2 Eu1 O4 C6 -120.8(5) 7_557
O2 Eu1 O7 C11 -73.7(13) 7_557
O2 Eu1 O7X C11X 156.2(17) 7_557
O2 C1 C2 O3 -174.3(5) .
O2 C1 C2 C3 6.6(10) .
O2W Eu1 O1 C1 78.6(7) .
O2W Eu1 O4 C6 -59.2(5) .
O2W Eu1 O7 C11 11.9(12) .
O2W Eu1 O7X C11X 101.8(16) .
O3 C2 C3 C4 -1.6(7) .
O4 Eu1 O1 C1 141.1(7) .
O4 Eu1 O7 C11 101.1(13) .
O4 Eu1 O7X C11X -42.7(18) .
O4 C6 C7 O6 -3.7(9) .
O4 C6 C7 C8 177.0(7) .
O5 Eu1 O1 C1 -124.1(6) 7_556
O5 Eu1 O4 C6 8.4(5) 7_556
O5 Eu1 O7 C11 17.2(16) 7_556
O5 Eu1 O7X C11X 52.8(16) 7_556
O5 C6 C7 O6 176.1(5) .
O5 C6 C7 C8 -3.2(11) .
O6 C7 C8 C9 -0.3(8) .
C1 C2 C3 C4 177.6(7) .
C2 O3 C5 C4 1.0(8) .
C2 C3 C4 C5 2.1(8) .
C3 C4 C5 O3 -2.0(8) .
C5 O3 C2 C1 -178.9(6) .
C5 O3 C2 C3 0.4(7) .
C6 C7 C8 C9 179.1(7) .
C7 O6 C10 C9 -1.2(8) .
C7 C8 C9 C10 -0.5(9) .
C8 C9 C10 O6 1.1(9) .
C10 O6 C7 C6 -178.6(5) .
C10 O6 C7 C8 0.9(7) .
O3W Eu1 O1 C1 -76.6(7) .
O3W Eu1 O4 C6 85.8(6) .
O3W Eu1 O7 C11 -115.8(13) .
O3W Eu1 O7X C11X 60(4) .
O7 Eu1 O1 C1 68.1(7) .
O7 Eu1 O4 C6 -131.0(6) .
O7 Eu1 O7X C11X -152.7(14) .
O7 C11 C12 C13 -164.2(9) .
O7 C11 C12 O9 8.3(14) .
O8 C11 C12 C13 14.6(16) .
O8 C11 C12 O9 -172.9(9) .
C13 C14 C15 O9 0.0 .
C14 C13 C12 C11 173.3(12) .
C14 C13 C12 O9 0.0 .
C14 C15 O9 C12 0.0 .
C15 O9 C12 C11 -174.1(10) .
C15 O9 C12 C13 0.0 .
C12 C13 C14 C15 0.0 .
O4W Eu1 O1 C1 59.7(7) .
O4W Eu1 O4 C6 -134.2(6) .
O4W Eu1 O7 C11 -101(4) .
O4W Eu1 O7X C11X -156.3(15) .
O7X Eu1 O1 C1 -74.1(7) .
O7X Eu1 O4 C6 96.2(7) .
O7X Eu1 O7 C11 -121.6(13) .
O7X C11X C12X O9X 11(2) .
O7X C11X C12X C13X -161.6(17) .
O8X C11X C12X O9X -180.0(13) .
O8X C11X C12X C13X 7(3) .
O9X C12X C13X C14X -0.7(17) .
C11X C12X C13X C14X 172.6(16) .
C12X O9X C15X C14X 0.0(17) .
C12X C13X C14X C15X 0.7(17) .
C13X C14X C15X O9X -0.5(17) .
C15X O9X C12X C11X -174.2(13) .
C15X O9X C12X C13X 0.5(17) .
