#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:29:08 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180041 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/35/7033584.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_7033584
loop_
_publ_author_name
'Gomez, G. E.'
'Bernini, M. C.'
'Brusau, E. V.'
'Narda, G. E.'
'Vega, D.'
'Kaczmarek, A. M.'
'Van Deun, R.'
'Nazzarro, M.'
_publ_section_title
;
 Layered exfoliable crystalline materials based on Sm-, Eu- and
 Eu/Gd-2-phenylsuccinate frameworks. Crystal structure, topology and
 luminescence properties.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3417
_journal_page_last               3429
_journal_paper_doi               10.1039/c4dt02844a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'Eu2 . (C10H8O4)3 . H2O'
_chemical_formula_sum            'C30 H26 Eu2 O13'
_chemical_formula_weight         898.43
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2014-12-09 deposited with the CCDC.
2015-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.430(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.1320(9)
_cell_length_b                   18.0343(13)
_cell_length_c                   11.0712(5)
_cell_measurement_reflns_used    4133
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      28.7981
_cell_measurement_theta_min      3.5726
_cell_volume                     2971.4(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_molecular_graphics
;
ATOMS and MERCURY 2.0 
Dowty, E. ATOMS for Windows, a computer program for displaying atomic 
structure, Version 3.1; Shape Software: Kingsport, TN, 1995 
and Mercury CSD 2.0 - new features for the visualization and 
investigation of crystal structures, C. F. Macrae, I. J. Bruno, 
J. A. Chisholm, P. R. Edgington, P. McCabe, E. Pidcock, 
L. Rodriguez-Monge, R. Taylor, J. van de Streek and P. A. Wood, 
J. Appl. Cryst., 41 (2008) 466-470
;
_computing_publication_material
;
SHELXTL 
SHELXTL, version 5.0; Siemens Analytical X-ray Instruments Inc. 
Madison, WI, 1995
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      170(2)
_diffrn_detector_area_resol_mean 16.1158
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.869
_diffrn_measurement_details
;
  1 omega  -13.00   28.00   1.0000   97.5350
omega____ theta____ kappa____ phi______ frames
    -      -21.2927   57.0000  -90.0000 41

  2 omega    1.00   64.00   1.0000   97.5350
omega____ theta____ kappa____ phi______ frames
    -       21.0583   57.0000 -120.0000 63

  3 omega  -25.00   24.00   1.0000   97.5350
omega____ theta____ kappa____ phi______ frames
    -      -21.2927  -99.0000  -30.0000 49

  4 omega   -7.00   66.00   1.0000   97.5350
omega____ theta____ kappa____ phi______ frames
    -       21.0583  -99.0000  120.0000 73

  5 omega   36.00   85.00   1.0000   97.5350
omega____ theta____ kappa____ phi______ frames
    -       21.0583  178.0000  150.0000 49

;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0397530000
_diffrn_orient_matrix_UB_12      0.0168396000
_diffrn_orient_matrix_UB_13      0.0715663000
_diffrn_orient_matrix_UB_21      0.0051817000
_diffrn_orient_matrix_UB_22      -0.0288326000
_diffrn_orient_matrix_UB_23      0.0490750000
_diffrn_orient_matrix_UB_31      0.0254496000
_diffrn_orient_matrix_UB_32      -0.0205046000
_diffrn_orient_matrix_UB_33      -0.0106459000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0718
_diffrn_reflns_av_unetI/netI     0.0890
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.869
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14326
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.869
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.976
_diffrn_reflns_theta_min         3.743
_exptl_absorpt_coefficient_mu    4.252
_exptl_absorpt_correction_T_max  0.80
_exptl_absorpt_correction_T_min  0.56
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.008
_exptl_crystal_description       'square pyramid'
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.2294
_exptl_crystal_size_mid          0.1158
_exptl_crystal_size_min          0.0524
_refine_diff_density_max         2.110
_refine_diff_density_min         -2.169
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         6851
_refine_ls_number_restraints     139
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0565
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0207P)²+25.7821P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1034
_refine_ls_wR_factor_ref         0.1163
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5070
_reflns_number_total             6851
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4dt02844a2.cif
_cod_data_source_block           Eu-psa
_cod_depositor_comments
'Adding full bibliography for 7033583--7033585.cif.'
_cod_original_cell_volume        2971.3(3)
_cod_database_code               7033584
#BEGIN Tags that were not found in dictionaries:
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_chemical_oxdiff_formula         'C30 H26 O13 Eu2'
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Eu2 Eu 0.96195(3) 0.88864(2) 0.22870(4) 0.02096(11) Uani 1 1 d . .
Eu1 Eu 0.94014(3) 0.80696(2) 0.55852(4) 0.02064(11) Uani 1 1 d . .
O1W O 0.9875(5) 1.0165(4) 0.1820(8) 0.0484(19) Uani 1 1 d D .
H2W H 0.958(3) 1.055(3) 0.204(8) 0.073 Uiso 1 1 d D U
H1W H 1.005(7) 1.025(6) 0.113(6) 0.073 Uiso 1 1 d D U
C1A C 0.8307(6) 0.9548(5) 0.4278(8) 0.0261(19) Uani 1 1 d . .
C2A C 0.7686(5) 1.0182(5) 0.4483(8) 0.0214(17) Uani 1 1 d . U
H2A H 0.7501 1.0100 0.5275 0.026 Uiso 1 1 calc R U
C3A C 0.8189(6) 1.0910(5) 0.4560(8) 0.0270(19) Uani 1 1 d . .
H3A1 H 0.8418 1.0983 0.3806 0.032 Uiso 1 1 calc R U
H3A2 H 0.7773 1.1310 0.4629 0.032 Uiso 1 1 calc R U
C4A C 0.8956(5) 1.0947(5) 0.5627(8) 0.0229(18) Uani 1 1 d . .
C5A C 0.6841(6) 1.0227(5) 0.3507(9) 0.032(2) Uani 1 1 d . U
C6A C 0.6034(7) 1.0318(9) 0.3862(12) 0.074(5) Uani 1 1 d . U
H6A H 0.6000 1.0309 0.4692 0.089 Uiso 1 1 calc R U
C7A C 0.5249(8) 1.0424(12) 0.2977(14) 0.104(7) Uani 1 1 d . U
H7A H 0.4697 1.0483 0.3222 0.125 Uiso 1 1 calc R U
C8A C 0.5301(8) 1.0439(10) 0.1782(13) 0.083(5) Uani 1 1 d . U
H8A H 0.4782 1.0508 0.1201 0.100 Uiso 1 1 calc R U
C9A C 0.6086(8) 1.0356(9) 0.1415(12) 0.073(4) Uani 1 1 d . U
H9A H 0.6110 1.0364 0.0581 0.088 Uiso 1 1 calc R U
C10A C 0.6861(7) 1.0258(7) 0.2263(10) 0.052(3) Uani 1 1 d . U
H10A H 0.7407 1.0212 0.1996 0.063 Uiso 1 1 calc R U
O1A O 0.8447(4) 0.9058(4) 0.5100(5) 0.0312(15) Uani 1 1 d . .
O2A O 0.8678(4) 0.9592(4) 0.3344(5) 0.0295(14) Uani 1 1 d . .
O3A O 0.9717(4) 1.1179(3) 0.5474(5) 0.0250(13) Uani 1 1 d . .
O4A O 0.8859(4) 1.0766(4) 0.6667(6) 0.0410(18) Uani 1 1 d . .
C1B C 1.0727(5) 0.6617(5) 0.5060(7) 0.0246(19) Uani 1 1 d . .
C2B C 1.1592(5) 0.6496(5) 0.4575(8) 0.0250(18) Uani 1 1 d . U
H2B H 1.1563 0.6010 0.4172 0.030 Uiso 1 1 calc R U
C3B C 1.1657(6) 0.7090(6) 0.3629(8) 0.032(2) Uani 1 1 d . .
H3B1 H 1.2164 0.6986 0.3231 0.038 Uiso 1 1 calc R U
H3B2 H 1.1758 0.7567 0.4033 0.038 Uiso 1 1 calc R U
C4B C 1.0804(6) 0.7121(5) 0.2671(8) 0.0267(19) Uani 1 1 d . .
C5B C 1.2374(6) 0.6493(6) 0.5661(8) 0.034(2) Uani 1 1 d . U
C6B C 1.2534(8) 0.5867(8) 0.6349(13) 0.074(4) Uani 1 1 d . U
H6B H 1.2163 0.5458 0.6138 0.089 Uiso 1 1 calc R U
C7B C 1.3234(9) 0.5812(11) 0.7363(14) 0.095(5) Uani 1 1 d . U
H7B H 1.3356 0.5368 0.7788 0.114 Uiso 1 1 calc R U
C8B C 1.3732(9) 0.6438(11) 0.7708(15) 0.094(5) Uani 1 1 d . U
H8B H 1.4156 0.6437 0.8430 0.113 Uiso 1 1 calc R U
C9B C 1.3609(10) 0.7067(11) 0.6994(16) 0.109(6) Uani 1 1 d . U
H9B H 1.3983 0.7473 0.7204 0.130 Uiso 1 1 calc R U
C10B C 1.2932(9) 0.7101(8) 0.5965(14) 0.079(4) Uani 1 1 d . U
H10B H 1.2855 0.7527 0.5484 0.095 Uiso 1 1 calc R U
O1B O 1.0411(4) 0.7715(3) 0.2320(5) 0.0278(14) Uani 1 1 d . .
O2B O 1.0496(4) 0.6473(4) 0.2226(6) 0.0369(16) Uani 1 1 d . .
O3B O 1.0376(4) 0.7261(4) 0.4864(6) 0.0332(15) Uani 1 1 d . .
O4B O 1.0416(4) 0.6093(4) 0.5603(5) 0.0277(14) Uani 1 1 d . .
C1C C 0.8392(5) 0.7367(5) 0.2970(7) 0.0227(18) Uani 1 1 d . .
C2C C 0.7508(5) 0.7219(6) 0.3401(8) 0.0267(19) Uani 1 1 d . U
H2C H 0.7434 0.7590 0.4022 0.032 Uiso 1 1 calc R U
C3C C 0.7517(6) 0.6451(6) 0.3982(8) 0.035(2) Uani 1 1 d . .
H3C1 H 0.6924 0.6347 0.4158 0.042 Uiso 1 1 calc R U
H3C2 H 0.7641 0.6085 0.3392 0.042 Uiso 1 1 calc R U
C4C C 0.8197(6) 0.6364(6) 0.5147(8) 0.033(2) Uani 1 1 d . .
C5C C 0.6777(6) 0.7335(7) 0.2284(9) 0.040(2) Uani 1 1 d . U
C6C C 0.6567(7) 0.6802(8) 0.1386(9) 0.052(3) Uani 1 1 d . U
H6C H 0.6859 0.6346 0.1484 0.063 Uiso 1 1 calc R U
C7C C 0.5919(7) 0.6933(9) 0.0323(11) 0.066(3) Uani 1 1 d . U
H7C H 0.5768 0.6566 -0.0268 0.080 Uiso 1 1 calc R U
C8C C 0.5514(8) 0.7623(10) 0.0181(13) 0.077(4) Uani 1 1 d . U
H8C H 0.5093 0.7719 -0.0524 0.093 Uiso 1 1 calc R U
C9C C 0.5717(9) 0.8168(10) 0.1051(12) 0.080(4) Uani 1 1 d . U
H9C H 0.5428 0.8624 0.0950 0.096 Uiso 1 1 calc R U
C10C C 0.6368(7) 0.8023(8) 0.2095(11) 0.057(3) Uani 1 1 d . U
H10C H 0.6529 0.8397 0.2672 0.069 Uiso 1 1 calc R U
O1C O 0.8807(4) 0.7965(3) 0.3325(5) 0.0223(12) Uani 1 1 d . .
O2C O 0.8636(4) 0.6908(3) 0.2258(5) 0.0259(13) Uani 1 1 d . .
O3C O 0.8668(3) 0.6931(3) 0.5593(5) 0.0238(13) Uani 1 1 d . .
O4C O 0.8323(5) 0.5764(4) 0.5673(6) 0.049(2) 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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
26 -10 -12 0.0324 25.7239 -10.4309 -11.5136 0.0230 -0.1310 0.9911
-10 24 1 0.0487 -9.5685 23.6038 1.4763 0.1228 -0.6577 -0.7432
-20 -15 12 0.0399 -19.7427 -15.2004 12.1384 -0.1721 0.9317 -0.3200
20 14 -2 0.0203 19.8812 14.4062 -2.1735 0.8774 -0.4190 0.2337
-25 -9 5 0.0228 -24.7291 -9.0582 4.9213 -0.7834 0.3745 -0.4960
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
O2A Eu2 O4B 143.8(2) . 4_575
O2A Eu2 O1W 74.1(2) . .
O4B Eu2 O1W 72.3(2) 4_575 .
O2A Eu2 O1B 143.1(2) . .
O4B Eu2 O1B 73.1(2) 4_575 .
O1W Eu2 O1B 137.6(2) . .
O2A Eu2 O4A 103.0(2) . 3_776
O4B Eu2 O4A 78.6(2) 4_575 3_776
O1W Eu2 O4A 71.6(3) . 3_776
O1B Eu2 O4A 78.3(2) . 3_776
O2A Eu2 O1C 74.8(2) . .
O4B Eu2 O1C 137.3(2) 4_575 .
O1W Eu2 O1C 148.9(2) . .
O1B Eu2 O1C 72.15(19) . .
O4A Eu2 O1C 117.0(2) 3_776 .
O2A Eu2 O4C 75.6(2) . 4_575
O4B Eu2 O4C 83.1(2) 4_575 4_575
O1W Eu2 O4C 74.9(3) . 4_575
O1B Eu2 O4C 123.7(2) . 4_575
O4A Eu2 O4C 145.4(3) 3_776 4_575
O1C Eu2 O4C 96.3(2) . 4_575
O2A Eu2 O3A 72.9(2) . 3_776
O4B Eu2 O3A 127.10(19) 4_575 3_776
O1W Eu2 O3A 101.9(2) . 3_776
O1B Eu2 O3A 80.5(2) . 3_776
O4A Eu2 O3A 51.2(2) 3_776 3_776
O1C Eu2 O3A 69.60(18) . 3_776
O4C Eu2 O3A 147.9(2) 4_575 3_776
O2A Eu2 O3C 110.9(2) . 4_575
O4B Eu2 O3C 74.87(18) 4_575 4_575
O1W Eu2 O3C 118.5(2) . 4_575
O1B Eu2 O3C 74.02(19) . 4_575
O4A Eu2 O3C 146.1(2) 3_776 4_575
O1C Eu2 O3C 72.39(18) . 4_575
O4C Eu2 O3C 50.5(2) 4_575 4_575
O3A Eu2 O3C 139.13(18) 3_776 4_575
O2A Eu2 C4A 88.7(2) . 3_776
O4B Eu2 C4A 102.3(2) 4_575 3_776
O1W Eu2 C4A 86.9(3) . 3_776
O1B Eu2 C4A 77.4(2) . 3_776
O4A Eu2 C4A 25.2(2) 3_776 3_776
O1C Eu2 C4A 93.5(2) . 3_776
O4C Eu2 C4A 158.6(2) 4_575 3_776
O3A Eu2 C4A 26.1(2) 3_776 3_776
O3C Eu2 C4A 150.9(2) 4_575 3_776
O2A Eu2 C4C 93.6(2) . 4_575
O4B Eu2 C4C 76.9(2) 4_575 4_575
O1W Eu2 C4C 95.6(3) . 4_575
O1B Eu2 C4C 99.6(2) . 4_575
O4A Eu2 C4C 154.9(2) 3_776 4_575
O1C Eu2 C4C 85.3(2) . 4_575
O4C Eu2 C4C 24.4(2) 4_575 4_575
O3A Eu2 C4C 153.7(2) 3_776 4_575
O3C Eu2 C4C 26.2(2) 4_575 4_575
C4A Eu2 C4C 177.0(3) 3_776 4_575
O2A Eu2 Eu1 134.65(16) . 4_575
O4B Eu2 Eu1 69.90(15) 4_575 4_575
O1W Eu2 Eu1 138.5(2) . 4_575
O1B Eu2 Eu1 40.04(14) . 4_575
O4A Eu2 Eu1 115.98(18) 3_776 4_575
O1C Eu2 Eu1 67.61(13) . 4_575
O4C Eu2 Eu1 84.10(17) 4_575 4_575
O3A Eu2 Eu1 114.23(14) 3_776 4_575
O3C Eu2 Eu1 33.98(12) 4_575 4_575
C4A Eu2 Eu1 117.27(17) 3_776 4_575
C4C Eu2 Eu1 59.73(19) 4_575 4_575
O1A Eu1 O3B 145.2(2) . .
O1A Eu1 O3C 113.9(2) . .
O3B Eu1 O3C 77.3(2) . .
O1A Eu1 O2C 78.0(2) . 4_576
O3B Eu1 O2C 135.7(2) . 4_576
O3C Eu1 O2C 73.2(2) . 4_576
O1A Eu1 O3A 80.0(2) . 3_776
O3B Eu1 O3A 74.8(2) . 3_776
O3C Eu1 O3A 145.03(19) . 3_776
O2C Eu1 O3A 141.7(2) 4_576 3_776
O1A Eu1 O2B 103.4(2) . 4_576
O3B Eu1 O2B 94.8(2) . 4_576
O3C Eu1 O2B 124.7(2) . 4_576
O2C Eu1 O2B 76.5(2) 4_576 4_576
O3A Eu1 O2B 78.6(2) 3_776 4_576
O1A Eu1 O1C 74.2(2) . .
O3B Eu1 O1C 75.2(2) . .
O3C Eu1 O1C 81.56(18) . .
O2C Eu1 O1C 130.32(18) 4_576 .
O3A Eu1 O1C 71.31(18) 3_776 .
O2B Eu1 O1C 149.77(19) 4_576 .
O1A Eu1 O1B 147.5(2) . 4_576
O3B Eu1 O1B 65.9(2) . 4_576
O3C Eu1 O1B 74.86(18) . 4_576
O2C Eu1 O1B 74.90(19) 4_576 4_576
O3A Eu1 O1B 111.40(19) 3_776 4_576
O2B Eu1 O1B 52.9(2) 4_576 4_576
O1C Eu1 O1B 137.88(19) . 4_576
O1A Eu1 C4B 128.7(2) . 4_576
O3B Eu1 C4B 77.1(2) . 4_576
O3C Eu1 C4B 100.1(2) . 4_576
O2C Eu1 C4B 76.5(2) 4_576 4_576
O3A Eu1 C4B 93.8(2) 3_776 4_576
O2B Eu1 C4B 27.2(2) 4_576 4_576
O1C Eu1 C4B 151.2(2) . 4_576
O1B Eu1 C4B 25.9(2) 4_576 4_576
O1A Eu1 Eu2 142.46(16) . 4_576
O3B Eu1 Eu2 66.55(16) . 4_576
O3C Eu1 Eu2 38.59(13) . 4_576
O2C Eu1 Eu2 69.75(15) 4_576 4_576
O3A Eu1 Eu2 137.58(15) 3_776 4_576
O2B Eu1 Eu2 87.66(16) 4_576 4_576
O1C Eu1 Eu2 112.92(13) . 4_576
O1B Eu1 Eu2 36.27(12) 4_576 4_576
C4B Eu1 Eu2 61.71(19) 4_576 4_576
O1A Eu1 Eu2 69.71(15) . .
O3B Eu1 Eu2 75.82(16) . .
O3C Eu1 Eu2 116.39(13) . .
O2C Eu1 Eu2 147.52(14) 4_576 .
O3A Eu1 Eu2 35.68(13) 3_776 .
O2B Eu1 Eu2 114.12(15) 4_576 .
O1C Eu1 Eu2 36.09(12) . .
O1B Eu1 Eu2 136.73(13) 4_576 .
C4B Eu1 Eu2 127.48(18) 4_576 .
Eu2 Eu1 Eu2 137.997(14) 4_576 .
Eu2 O1W H2W 126(5) . .
Eu2 O1W H1W 116(7) . .
H2W O1W H1W 110(3) . .
O1A C1A O2A 126.4(8) . .
O1A C1A C2A 116.6(7) . .
O2A C1A C2A 116.8(8) . .
C3A C2A C5A 110.1(7) . .
C3A C2A C1A 110.1(7) . .
C5A C2A C1A 113.4(7) . .
C3A C2A H2A 107.7 . .
C5A C2A H2A 107.7 . .
C1A C2A H2A 107.7 . .
C4A C3A C2A 113.1(7) . .
C4A C3A H3A1 109.0 . .
C2A C3A H3A1 109.0 . .
C4A C3A H3A2 109.0 . .
C2A C3A H3A2 109.0 . .
H3A1 C3A H3A2 107.8 . .
O4A C4A O3A 118.6(8) . .
O4A C4A C3A 121.2(8) . .
O3A C4A C3A 120.2(8) . .
O4A C4A Eu2 58.4(5) . 3_776
O3A C4A Eu2 60.3(4) . 3_776
C3A C4A Eu2 176.1(6) . 3_776
C6A C5A C10A 117.7(10) . .
C6A C5A C2A 119.0(9) . .
C10A C5A C2A 122.9(9) . .
C5A C6A C7A 120.2(12) . .
C5A C6A H6A 119.9 . .
C7A C6A H6A 119.9 . .
C8A C7A C6A 119.8(13) . .
C8A C7A H7A 120.1 . .
C6A C7A H7A 120.1 . .
C9A C8A C7A 121.0(12) . .
C9A C8A H8A 119.5 . .
C7A C8A H8A 119.5 . .
C8A C9A C10A 120.2(13) . .
C8A C9A H9A 119.9 . .
C10A C9A H9A 119.9 . .
C9A C10A C5A 121.1(11) . .
C9A C10A H10A 119.5 . .
C5A C10A H10A 119.5 . .
C1A O1A Eu1 137.0(6) . .
C1A O2A Eu2 139.9(6) . .
C4A O3A Eu1 150.2(6) . 3_776
C4A O3A Eu2 93.6(5) . 3_776
Eu1 O3A Eu2 111.0(2) 3_776 3_776
C4A O4A Eu2 96.5(5) . 3_776
O4B C1B O3B 125.7(8) . .
O4B C1B C2B 118.8(8) . .
O3B C1B C2B 115.5(8) . .
C3B C2B C1B 108.1(7) . .
C3B C2B C5B 114.2(8) . .
C1B C2B C5B 108.5(7) . .
C3B C2B H2B 108.7 . .
C1B C2B H2B 108.7 . .
C5B C2B H2B 108.7 . .
C2B C3B C4B 110.9(7) . .
C2B C3B H3B1 109.5 . .
C4B C3B H3B1 109.5 . .
C2B C3B H3B2 109.5 . .
C4B C3B H3B2 109.5 . .
H3B1 C3B H3B2 108.0 . .
O1B C4B O2B 121.6(8) . .
O1B C4B C3B 123.1(8) . .
O2B C4B C3B 115.3(8) . .
O1B C4B Eu1 67.1(5) . 4_575
O2B C4B Eu1 55.3(4) . 4_575
C3B C4B Eu1 166.8(6) . 4_575
C6B C5B C10B 118.8(10) . .
C6B C5B C2B 118.6(10) . .
C10B C5B C2B 122.7(10) . .
C5B C6B C7B 122.7(14) . .
C5B C6B H6B 118.7 . .
C7B C6B H6B 118.7 . .
C8B C7B C6B 117.6(15) . .
C8B C7B H7B 121.2 . .
C6B C7B H7B 121.2 . .
C7B C8B C9B 120.5(14) . .
C7B C8B H8B 119.7 . .
C9B C8B H8B 119.7 . .
C8B C9B C10B 120.8(15) . .
C8B C9B H9B 119.6 . .
C10B C9B H9B 119.6 . .
C5B C10B C9B 119.3(14) . .
C5B C10B H10B 120.4 . .
C9B C10B H10B 120.4 . .
C4B O1B Eu2 162.7(6) . .
C4B O1B Eu1 87.0(5) . 4_575
Eu2 O1B Eu1 103.7(2) . 4_575
C4B O2B Eu1 97.4(5) . 4_575
C1B O3B Eu1 141.7(6) . .
C1B O4B Eu2 130.2(5) . 4_576
O2C C1C O1C 125.0(7) . .
O2C C1C C2C 117.3(8) . .
O1C C1C C2C 117.6(8) . .
C5C C2C C1C 105.8(7) . .
C5C C2C C3C 114.8(8) . .
C1C C2C C3C 110.5(7) . .
C5C C2C H2C 108.5 . .
C1C C2C H2C 108.5 . .
C3C C2C H2C 108.5 . .
C4C C3C C2C 114.1(8) . .
C4C C3C H3C1 108.7 . .
C2C C3C H3C1 108.7 . .
C4C C3C H3C2 108.7 . .
C2C C3C H3C2 108.7 . .
H3C1 C3C H3C2 107.6 . .
O4C C4C O3C 119.3(8) . .
O4C C4C C3C 121.5(8) . .
O3C C4C C3C 119.3(9) . .
O4C C4C Eu2 56.8(5) . 4_576
O3C C4C Eu2 62.6(4) . 4_576
C3C C4C Eu2 174.8(7) . 4_576
C6C C5C C10C 118.5(10) . .
C6C C5C C2C 122.0(10) . .
C10C C5C C2C 119.2(10) . .
C5C C6C C7C 121.3(13) . .
C5C C6C H6C 119.3 . .
C7C C6C H6C 119.3 . .
C8C C7C C6C 118.2(14) . .
C8C C7C H7C 120.9 . .
C6C C7C H7C 120.9 . .
C9C C8C C7C 121.8(13) . .
C9C C8C H8C 119.1 . .
C7C C8C H8C 119.1 . .
C8C C9C C10C 118.7(15) . .
C8C C9C H9C 120.6 . .
C10C C9C H9C 120.6 . .
C5C C10C C9C 121.3(13) . .
C5C C10C H10C 119.3 . .
C9C C10C H10C 119.3 . .
C1C O1C Eu2 133.2(5) . .
C1C O1C Eu1 116.0(5) . .
Eu2 O1C Eu1 107.2(2) . .
C1C O2C Eu1 136.9(5) . 4_575
C4C O3C Eu1 157.6(6) . .
C4C O3C Eu2 91.2(6) . 4_576
Eu1 O3C Eu2 107.4(2) . 4_576
C4C O4C Eu2 98.8(6) . 4_576
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu2 O2A 2.372(6) .
Eu2 O4B 2.396(6) 4_575
Eu2 O1W 2.409(7) .
Eu2 O1B 2.426(6) .
Eu2 O4A 2.463(6) 3_776
Eu2 O1C 2.470(5) .
Eu2 O4C 2.483(6) 4_575
Eu2 O3A 2.503(5) 3_776
Eu2 O3C 2.605(6) 4_575
Eu2 C4A 2.875(8) 3_776
Eu2 C4C 2.933(9) 4_575
Eu2 Eu1 3.9845(6) 4_575
Eu1 O1A 2.296(6) .
Eu1 O3B 2.317(6) .
Eu1 O3C 2.334(6) .
Eu1 O2C 2.356(5) 4_576
Eu1 O3A 2.357(6) 3_776
Eu1 O2B 2.373(6) 4_576
Eu1 O1C 2.508(5) .
Eu1 O1B 2.638(6) 4_576
Eu1 C4B 2.861(9) 4_576
Eu1 Eu2 3.9845(6) 4_576
O1W H2W 0.879(10) .
O1W H1W 0.868(10) .
C1A O1A 1.258(10) .
C1A O2A 1.266(10) .
C1A C2A 1.522(11) .
C2A C3A 1.511(12) .
C2A C5A 1.520(12) .
C2A H2A 0.9800 .
C3A C4A 1.501(12) .
C3A H3A1 0.9700 .
C3A H3A2 0.9700 .
C4A O4A 1.230(10) .
C4A O3A 1.266(10) .
C4A Eu2 2.875(8) 3_776
C5A C6A 1.359(14) .
C5A C10A 1.384(14) .
C6A C7A 1.410(16) .
C6A H6A 0.9300 .
C7A C8A 1.340(19) .
C7A H7A 0.9300 .
C8A C9A 1.331(17) .
C8A H8A 0.9300 .
C9A C10A 1.374(14) .
C9A H9A 0.9300 .
C10A H10A 0.9300 .
O3A Eu1 2.357(6) 3_776
O3A Eu2 2.503(5) 3_776
O4A Eu2 2.463(6) 3_776
C1B O4B 1.258(10) .
C1B O3B 1.278(11) .
C1B C2B 1.517(11) .
C2B C3B 1.514(12) .
C2B C5B 1.526(12) .
C2B H2B 0.9800 .
C3B C4B 1.515(12) .
C3B H3B1 0.9700 .
C3B H3B2 0.9700 .
C4B O1B 1.252(10) .
C4B O2B 1.321(11) .
C4B Eu1 2.861(9) 4_575
C5B C6B 1.360(16) .
C5B C10B 1.388(16) .
C6B C7B 1.401(16) .
C6B H6B 0.9300 .
C7B C8B 1.37(2) .
C7B H7B 0.9300 .
C8B C9B 1.37(2) .
C8B H8B 0.9300 .
C9B C10B 1.389(18) .
C9B H9B 0.9300 .
C10B H10B 0.9300 .
O1B Eu1 2.638(6) 4_575
O2B Eu1 2.373(6) 4_575
O4B Eu2 2.396(6) 4_576
C1C O2C 1.244(10) .
C1C O1C 1.274(10) .
C1C C2C 1.524(11) .
C2C C5C 1.517(12) .
C2C C3C 1.526(13) .
C2C H2C 0.9800 .
C3C C4C 1.506(12) .
C3C H3C1 0.9700 .
C3C H3C2 0.9700 .
C4C O4C 1.226(12) .
C4C O3C 1.293(10) .
C4C Eu2 2.933(9) 4_576
C5C C6C 1.378(16) .
C5C C10C 1.385(16) .
C6C C7C 1.409(14) .
C6C H6C 0.9300 .
C7C C8C 1.38(2) .
C7C H7C 0.9300 .
C8C C9C 1.37(2) .
C8C H8C 0.9300 .
C9C C10C 1.401(15) .
C9C H9C 0.9300 .
C10C H10C 0.9300 .
O2C Eu1 2.356(5) 4_575
O3C Eu2 2.605(6) 4_576
O4C Eu2 2.483(6) 4_576
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H2W O2B 0.879(10) 1.870(19) 2.686(11) 154(5) 2_755
O1W H1W O4B 0.868(10) 2.45(7) 3.125(9) 135(8) 2_755
C3A H3A1 O2B 0.97 2.34 3.214(11) 149.9 2_755
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_4
O1A C1A C2A C3A 118.3(8) . .
O2A C1A C2A C3A -57.0(10) . .
O1A C1A C2A C5A -117.9(9) . .
O2A C1A C2A C5A 66.8(10) . .
C5A C2A C3A C4A 171.5(7) . .
C1A C2A C3A C4A -62.8(9) . .
C2A C3A C4A O4A -48.1(12) . .
C2A C3A C4A O3A 133.1(8) . .
C3A C2A C5A C6A -102.8(12) . .
C1A C2A C5A C6A 133.4(11) . .
C3A C2A C5A C10A 70.3(12) . .
C1A C2A C5A C10A -53.5(13) . .
C10A C5A C6A C7A 1(2) . .
C2A C5A C6A C7A 174.7(14) . .
C5A C6A C7A C8A 0(3) . .
C6A C7A C8A C9A 0(3) . .
C7A C8A C9A C10A 0(3) . .
C8A C9A C10A C5A 1(2) . .
C6A C5A C10A C9A -2(2) . .
C2A C5A C10A C9A -175.0(12) . .
O2A C1A O1A Eu1 5.3(15) . .
C2A C1A O1A Eu1 -169.5(5) . .
O1A C1A O2A Eu2 9.6(15) . .
C2A C1A O2A Eu2 -175.7(5) . .
O4A C4A O3A Eu1 -149.6(8) . 3_776
C3A C4A O3A Eu1 29.2(16) . 3_776
Eu2 C4A O3A Eu1 -146.3(11) 3_776 3_776
O4A C4A O3A Eu2 -3.3(9) . 3_776
C3A C4A O3A Eu2 175.6(7) . 3_776
O3A C4A O4A Eu2 3.3(9) . 3_776
C3A C4A O4A Eu2 -175.5(7) . 3_776
O4B C1B C2B C3B 161.6(8) . .
O3B C1B C2B C3B -18.1(10) . .
O4B C1B C2B C5B -74.1(10) . .
O3B C1B C2B C5B 106.2(9) . .
C1B C2B C3B C4B -51.9(10) . .
C5B C2B C3B C4B -172.7(7) . .
C2B C3B C4B O1B 133.5(9) . .
C2B C3B C4B O2B -46.3(11) . .
C2B C3B C4B Eu1 -88(3) . 4_575
C3B C2B C5B C6B -160.0(10) . .
C1B C2B C5B C6B 79.5(12) . .
C3B C2B C5B C10B 19.4(14) . .
C1B C2B C5B C10B -101.2(12) . .
C10B C5B C6B C7B 1(2) . .
C2B C5B C6B C7B -179.9(13) . .
C5B C6B C7B C8B 4(3) . .
C6B C7B C8B C9B -7(3) . .
C7B C8B C9B C10B 5(3) . .
C6B C5B C10B C9B -3(2) . .
C2B C5B C10B C9B 177.5(13) . .
C8B C9B C10B C5B 0(3) . .
O2B C4B O1B Eu2 119.4(18) . .
C3B C4B O1B Eu2 -60(2) . .
Eu1 C4B O1B Eu2 129.1(19) 4_575 .
O2B C4B O1B Eu1 -9.7(8) . 4_575
C3B C4B O1B Eu1 170.5(8) . 4_575
O1B C4B O2B Eu1 10.9(9) . 4_575
C3B C4B O2B Eu1 -169.3(6) . 4_575
O4B C1B O3B Eu1 22.3(15) . .
C2B C1B O3B Eu1 -158.0(7) . .
O3B C1B O4B Eu2 -34.5(12) . 4_576
C2B C1B O4B Eu2 145.8(6) . 4_576
O2C C1C C2C C5C -70.0(10) . .
O1C C1C C2C C5C 107.3(9) . .
O2C C1C C2C C3C 54.9(10) . .
O1C C1C C2C C3C -127.9(8) . .
C5C C2C C3C C4C -175.3(8) . .
C1C C2C C3C C4C 65.2(10) . .
C2C C3C C4C O4C -175.2(9) . .
C2C C3C C4C O3C 3.8(12) . .
C1C C2C C5C C6C 79.6(11) . .
C3C C2C C5C C6C -42.4(12) . .
C1C C2C C5C C10C -93.8(11) . .
C3C C2C C5C C10C 144.1(10) . .
C10C C5C C6C C7C -3.1(16) . .
C2C C5C C6C C7C -176.7(9) . .
C5C C6C C7C C8C 1.9(18) . .
C6C C7C C8C C9C -1(2) . .
C7C C8C C9C C10C 2(2) . .
C6C C5C C10C C9C 3.6(17) . .
C2C C5C C10C C9C 177.3(10) . .
C8C C9C C10C C5C -3(2) . .
O2C C1C O1C Eu2 38.3(12) . .
C2C C1C O1C Eu2 -138.8(6) . .
O2C C1C O1C Eu1 -117.2(7) . .
C2C C1C O1C Eu1 65.8(8) . .
O1C C1C O2C Eu1 -31.7(13) . 4_575
C2C C1C O2C Eu1 145.3(6) . 4_575
O4C C4C O3C Eu1 151.2(11) . .
C3C C4C O3C Eu1 -28(2) . .
Eu2 C4C O3C Eu1 146.7(15) 4_576 .
O4C C4C O3C Eu2 4.5(9) . 4_576
C3C C4C O3C Eu2 -174.5(7) . 4_576
O3C C4C O4C Eu2 -4.8(10) . 4_576
C3C C4C O4C Eu2 174.2(7) . 4_576
