#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:52:01 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179132 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/94/4309497.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_4309497
loop_
_publ_author_name
'Zheng-Hua Zhang'
'Taka-aki Okamura'
'Yasuchika Hasegawa'
'Hiroyuki Kawaguchi'
'Ling-Yan Kong'
'Wei-Yin Sun'
'Norikazu Ueyama'
_publ_section_title
;
Syntheses, Structures, and Luminescent and Magnetic Properties of Novel
Three-Dimensional Lanthanide Complexes with 1,3,5-Benzenetriacetate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6219
_journal_page_last               6227
_journal_paper_doi               10.1021/ic050453a
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C12 H13.96 Eu O8.48 '
_chemical_formula_sum            'C12 H13.96 Eu O8.48'
_chemical_formula_weight         445.86
_chemical_name_systematic
; 
[Eu(bta)(H2O)]n-1.48n(H2O) 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.61(3)
_cell_angle_beta                 105.28(3)
_cell_angle_gamma                100.69(3)
_cell_formula_units_Z            2
_cell_length_a                   7.727(2)
_cell_length_b                   9.705(3)
_cell_length_c                   10.580(3)
_cell_measurement_reflns_used    6561
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.7
_cell_measurement_theta_min      3.1
_cell_volume                     703.6(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0519
_diffrn_reflns_av_sigmaI/netI    0.0581
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6967
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    4.497
_exptl_absorpt_correction_T_max  0.799
_exptl_absorpt_correction_T_min  0.467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.104
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             434
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.740
_refine_diff_density_min         -0.838
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         3199
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.972
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0261
_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)+(0.0254P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0551
_refine_ls_wR_factor_ref         0.0558
_reflns_number_gt                2827
_reflns_number_total             3199
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050453asi20050525_093545_3.cif
_cod_data_source_block           3
_cod_original_cell_volume        703.7(4)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4309497
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.24655(2) 0.03189(2) 0.450704(19) 0.01434(6) Uani 1 1 d . . .
O1 O 0.4136(3) 0.3003(3) 0.5569(3) 0.0237(6) Uani 1 1 d . . .
O2 O 0.4025(4) -0.1572(3) 0.4146(3) 0.0227(6) Uani 1 1 d . . .
O3 O 0.3152(4) -0.0418(4) 0.6576(3) 0.0272(6) Uani 1 1 d . . .
O4 O 0.3947(3) 0.0667(3) 0.2880(3) 0.0210(5) Uani 1 1 d . . .
O5 O 0.0400(4) -0.1708(3) 0.2267(3) 0.0256(6) Uani 1 1 d . . .
O6 O 0.0671(3) 0.1394(3) 0.5977(3) 0.0202(5) Uani 1 1 d . . .
O7 O 0.0361(4) 0.1430(3) 0.3219(3) 0.0271(6) Uani 1 1 d . . .
O8 O 0.9251(6) 0.1294(5) 0.0347(4) 0.0542(10) Uani 1 1 d . . .
O9 O 0.1398(14) 0.4579(12) 0.5549(11) 0.070(4) Uani 0.481(16) 1 d P . .
C1 C 0.6902(5) 0.5413(4) 0.7941(4) 0.0190(7) Uani 1 1 d . . .
C2 C 0.5820(5) 0.6303(4) 0.7511(4) 0.0194(7) Uani 1 1 d . . .
H1 H 0.5487 0.6255 0.6565 0.023 Uiso 1 1 calc R . .
C3 C 0.5222(5) 0.7259(4) 0.8446(4) 0.0216(8) Uani 1 1 d . . .
C4 C 0.5766(6) 0.7353(4) 0.9833(4) 0.0233(8) Uani 1 1 d . . .
H2 H 0.5380 0.8019 1.0480 0.028 Uiso 1 1 calc R . .
C5 C 0.6865(5) 0.6493(4) 1.0297(4) 0.0228(8) Uani 1 1 d . . .
C6 C 0.7409(5) 0.5513(4) 0.9332(4) 0.0215(8) Uani 1 1 d . . .
H3 H 0.8138 0.4904 0.9630 0.026 Uiso 1 1 calc R . .
C11 C 0.7380(5) 0.4265(4) 0.6887(5) 0.0275(9) Uani 1 1 d . . .
H4 H 0.8454 0.3978 0.7382 0.033 Uiso 1 1 calc R . .
H5 H 0.7757 0.4713 0.6235 0.033 Uiso 1 1 calc R . .
C12 C 0.5744(5) 0.2880(4) 0.6061(4) 0.0180(7) Uani 1 1 d . . .
C31 C 0.3878(6) 0.8096(5) 0.7956(5) 0.0306(9) Uani 1 1 d . . .
H6 H 0.3680 0.8739 0.8788 0.037 Uiso 1 1 calc R . .
H7 H 0.2661 0.7352 0.7355 0.037 Uiso 1 1 calc R . .
C32 C 0.4424(5) -0.0930(4) 0.7153(4) 0.0190(7) Uani 1 1 d . . .
C51 C 0.7425(6) 0.6633(5) 1.1818(4) 0.0311(10) Uani 1 1 d . . .
H8 H 0.6371 0.6770 1.2160 0.037 Uiso 1 1 calc R . .
H9 H 0.7671 0.5690 1.1895 0.037 Uiso 1 1 calc R . .
C52 C -0.0869(5) -0.2083(4) 0.2738(4) 0.0193(7) 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
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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Eu1 O2 74.23(10) . . ?
O4 Eu1 O7 79.51(9) . . ?
O2 Eu1 O7 141.47(10) . . ?
O4 Eu1 O3 137.25(9) . . ?
O2 Eu1 O3 71.08(10) . . ?
O7 Eu1 O3 142.59(9) . . ?
O4 Eu1 O1 78.00(10) . . ?
O2 Eu1 O1 122.73(9) . . ?
O7 Eu1 O1 77.32(10) . . ?
O3 Eu1 O1 100.59(11) . . ?
O4 Eu1 O6 144.30(9) . . ?
O2 Eu1 O6 141.10(10) . . ?
O7 Eu1 O6 71.31(9) . . ?
O3 Eu1 O6 72.00(9) . . ?
O1 Eu1 O6 75.93(9) . . ?
O4 Eu1 O5 76.72(9) . . ?
O2 Eu1 O5 74.09(10) . . ?
O7 Eu1 O5 72.77(11) . . ?
O3 Eu1 O5 115.68(11) . . ?
O1 Eu1 O5 143.67(11) . . ?
O6 Eu1 O5 112.32(9) . . ?
O4 Eu1 O6 128.14(9) . 2_556 ?
O2 Eu1 O6 96.38(9) . 2_556 ?
O7 Eu1 O6 78.21(10) . 2_556 ?
O3 Eu1 O6 80.35(10) . 2_556 ?
O1 Eu1 O6 139.29(8) . 2_556 ?
O6 Eu1 O6 65.60(10) . 2_556 ?
O5 Eu1 O6 52.08(9) . 2_556 ?
O4 Eu1 O2 71.87(9) . 2_656 ?
O2 Eu1 O2 72.40(10) . 2_656 ?
O7 Eu1 O2 124.88(10) . 2_656 ?
O3 Eu1 O2 74.40(10) . 2_656 ?
O1 Eu1 O2 51.53(9) . 2_656 ?
O6 Eu1 O2 108.65(9) . 2_656 ?
O5 Eu1 O2 138.92(8) . 2_656 ?
O6 Eu1 O2 154.52(10) 2_556 2_656 ?
O4 Eu1 C52 102.07(10) . . ?
O2 Eu1 C52 84.72(10) . . ?
O7 Eu1 C52 73.68(11) . . ?
O3 Eu1 C52 98.84(11) . . ?
O1 Eu1 C52 150.41(10) . . ?
O6 Eu1 C52 89.24(9) . . ?
O5 Eu1 C52 25.66(9) . . ?
O6 Eu1 C52 26.42(9) 2_556 . ?
O2 Eu1 C52 157.11(9) 2_656 . ?
O4 Eu1 C12 73.63(10) . . ?
O2 Eu1 C12 98.04(10) . . ?
O7 Eu1 C12 101.05(11) . . ?
O3 Eu1 C12 87.21(11) . . ?
O1 Eu1 C12 25.39(10) . . ?
O6 Eu1 C12 91.94(9) . . ?
O5 Eu1 C12 150.34(9) . . ?
O6 Eu1 C12 156.76(9) 2_556 . ?
O2 Eu1 C12 26.14(9) 2_656 . ?
C52 Eu1 C12 173.91(11) . . ?
O4 Eu1 Eu1 68.77(7) . 2_656 ?
O2 Eu1 Eu1 37.89(7) . 2_656 ?
O7 Eu1 Eu1 146.45(7) . 2_656 ?
O3 Eu1 Eu1 68.53(6) . 2_656 ?
O1 Eu1 Eu1 85.44(7) . 2_656 ?
O6 Eu1 Eu1 131.96(7) . 2_656 ?
O5 Eu1 Eu1 108.83(7) . 2_656 ?
O6 Eu1 Eu1 130.37(7) 2_556 2_656 ?
O2 Eu1 Eu1 34.51(6) 2_656 2_656 ?
C52 Eu1 Eu1 122.61(8) . 2_656 ?
C12 Eu1 Eu1 60.31(8) . 2_656 ?
C12 O1 Eu1 97.7(2) . . ?
C12 O2 Eu1 157.6(2) 2_656 . ?
C12 O2 Eu1 91.6(2) 2_656 2_656 ?
Eu1 O2 Eu1 107.60(10) . 2_656 ?
C32 O3 Eu1 134.2(2) . . ?
C32 O4 Eu1 137.0(3) 2_656 . ?
C52 O5 Eu1 94.9(2) . . ?
C52 O6 Eu1 140.8(2) 2_556 . ?
C52 O6 Eu1 93.5(2) 2_556 2_556 ?
Eu1 O6 Eu1 114.40(10) . 2_556 ?
C6 C1 C2 119.0(3) . . ?
C6 C1 C11 120.3(4) . . ?
C2 C1 C11 120.4(4) . . ?
C3 C2 C1 120.9(4) . . ?
C3 C2 H1 119.5 . . ?
C1 C2 H1 119.5 . . ?
C4 C3 C2 118.9(4) . . ?
C4 C3 C31 119.8(3) . . ?
C2 C3 C31 121.1(4) . . ?
C3 C4 C5 121.5(3) . . ?
C3 C4 H2 119.3 . . ?
C5 C4 H2 119.3 . . ?
C4 C5 C6 118.6(4) . . ?
C4 C5 C51 119.6(4) . . ?
C6 C5 C51 121.8(4) . . ?
C1 C6 C5 121.0(4) . . ?
C1 C6 H3 119.5 . . ?
C5 C6 H3 119.5 . . ?
C1 C11 C12 111.6(3) . . ?
C1 C11 H4 109.3 . . ?
C12 C11 H4 109.3 . . ?
C1 C11 H5 109.3 . . ?
C12 C11 H5 109.3 . . ?
H4 C11 H5 108.0 . . ?
O1 C12 O2 119.2(3) . 2_656 ?
O1 C12 C11 120.2(3) . . ?
O2 C12 C11 120.6(3) 2_656 . ?
O1 C12 Eu1 56.94(19) . . ?
O2 C12 Eu1 62.27(19) 2_656 . ?
C11 C12 Eu1 176.9(2) . . ?
C3 C31 C32 117.4(3) . 1_565 ?
C3 C31 H6 108.0 . . ?
C32 C31 H6 108.0 1_565 . ?
C3 C31 H7 108.0 . . ?
C32 C31 H7 108.0 1_565 . ?
H6 C31 H7 107.2 . . ?
O4 C32 O3 125.1(4) 2_656 . ?
O4 C32 C31 119.1(3) 2_656 1_545 ?
O3 C32 C31 115.8(3) . 1_545 ?
C52 C51 C5 113.1(3) 1_666 . ?
C52 C51 H8 109.0 1_666 . ?
C5 C51 H8 109.0 . . ?
C52 C51 H9 109.0 1_666 . ?
C5 C51 H9 109.0 . . ?
H8 C51 H9 107.8 . . ?
O5 C52 O6 119.5(3) . 2_556 ?
O5 C52 C51 120.1(3) . 1_444 ?
O6 C52 C51 120.4(3) 2_556 1_444 ?
O5 C52 Eu1 59.47(19) . . ?
O6 C52 Eu1 60.07(18) 2_556 . ?
C51 C52 Eu1 178.3(3) 1_444 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O4 2.370(3) . ?
Eu1 O2 2.372(3) . ?
Eu1 O7 2.447(3) . ?
Eu1 O3 2.451(3) . ?
Eu1 O1 2.456(3) . ?
Eu1 O6 2.485(3) . ?
Eu1 O5 2.492(3) . ?
Eu1 O6 2.503(3) 2_556 ?
Eu1 O2 2.571(3) 2_656 ?
Eu1 C52 2.883(4) . ?
Eu1 C12 2.904(4) . ?
Eu1 Eu1 3.9911(13) 2_656 ?
O1 C12 1.256(5) . ?
O2 C12 1.280(5) 2_656 ?
O2 Eu1 2.571(3) 2_656 ?
O3 C32 1.274(5) . ?
O4 C32 1.249(4) 2_656 ?
O5 C52 1.253(4) . ?
O6 C52 1.285(5) 2_556 ?
O6 Eu1 2.503(3) 2_556 ?
C1 C6 1.389(6) . ?
C1 C2 1.395(5) . ?
C1 C11 1.510(5) . ?
C2 C3 1.389(5) . ?
C2 H1 0.9500 . ?
C3 C4 1.386(6) . ?
C3 C31 1.509(6) . ?
C4 C5 1.392(6) . ?
C4 H2 0.9500 . ?
C5 C6 1.395(5) . ?
C5 C51 1.510(6) . ?
C6 H3 0.9500 . ?
C11 C12 1.512(5) . ?
C11 H4 0.9900 . ?
C11 H5 0.9900 . ?
C12 O2 1.280(5) 2_656 ?
C31 C32 1.514(6) 1_565 ?
C31 H6 0.9900 . ?
C31 H7 0.9900 . ?
C32 O4 1.249(4) 2_656 ?
C32 C31 1.514(6) 1_545 ?
C51 C52 1.503(5) 1_666 ?
C51 H8 0.9900 . ?
C51 H9 0.9900 . ?
C52 O6 1.285(5) 2_556 ?
C52 C51 1.503(5) 1_444 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O4 Eu1 O1 C12 -77.0(2) . . . . ?
O2 Eu1 O1 C12 -14.9(3) . . . . ?
O7 Eu1 O1 C12 -158.8(2) . . . . ?
O3 Eu1 O1 C12 59.3(2) . . . . ?
O6 Eu1 O1 C12 127.6(2) . . . . ?
O5 Eu1 O1 C12 -123.8(2) . . . . ?
O6 Eu1 O1 C12 146.8(2) 2_556 . . . ?
O2 Eu1 O1 C12 -0.8(2) 2_656 . . . ?
C52 Eu1 O1 C12 -170.4(2) . . . . ?
Eu1 Eu1 O1 C12 -7.8(2) 2_656 . . . ?
O4 Eu1 O2 C12 -136.5(7) . . . 2_656 ?
O7 Eu1 O2 C12 -87.7(7) . . . 2_656 ?
O3 Eu1 O2 C12 68.9(7) . . . 2_656 ?
O1 Eu1 O2 C12 159.5(6) . . . 2_656 ?
O6 Eu1 O2 C12 49.8(7) . . . 2_656 ?
O5 Eu1 O2 C12 -56.2(6) . . . 2_656 ?
O6 Eu1 O2 C12 -8.6(7) 2_556 . . 2_656 ?
O2 Eu1 O2 C12 147.9(7) 2_656 . . 2_656 ?
C52 Eu1 O2 C12 -32.4(7) . . . 2_656 ?
C12 Eu1 O2 C12 153.1(6) . . . 2_656 ?
Eu1 Eu1 O2 C12 147.9(7) 2_656 . . 2_656 ?
O4 Eu1 O2 Eu1 75.54(11) . . . 2_656 ?
O7 Eu1 O2 Eu1 124.37(14) . . . 2_656 ?
O3 Eu1 O2 Eu1 -79.07(12) . . . 2_656 ?
O1 Eu1 O2 Eu1 11.54(16) . . . 2_656 ?
O6 Eu1 O2 Eu1 -98.11(15) . . . 2_656 ?
O5 Eu1 O2 Eu1 155.89(13) . . . 2_656 ?
O6 Eu1 O2 Eu1 -156.56(11) 2_556 . . 2_656 ?
O2 Eu1 O2 Eu1 0.0 2_656 . . 2_656 ?
C52 Eu1 O2 Eu1 179.69(12) . . . 2_656 ?
C12 Eu1 O2 Eu1 5.16(13) . . . 2_656 ?
O4 Eu1 O3 C32 -8.6(4) . . . . ?
O2 Eu1 O3 C32 28.8(4) . . . . ?
O7 Eu1 O3 C32 -175.2(3) . . . . ?
O1 Eu1 O3 C32 -92.3(4) . . . . ?
O6 Eu1 O3 C32 -163.6(4) . . . . ?
O5 Eu1 O3 C32 89.7(4) . . . . ?
O6 Eu1 O3 C32 129.1(4) 2_556 . . . ?
O2 Eu1 O3 C32 -47.5(4) 2_656 . . . ?
C52 Eu1 O3 C32 110.1(4) . . . . ?
C12 Eu1 O3 C32 -70.6(4) . . . . ?
Eu1 Eu1 O3 C32 -11.5(3) 2_656 . . . ?
O2 Eu1 O4 C32 -59.4(4) . . . 2_656 ?
O7 Eu1 O4 C32 149.1(4) . . . 2_656 ?
O3 Eu1 O4 C32 -22.7(4) . . . 2_656 ?
O1 Eu1 O4 C32 70.0(4) . . . 2_656 ?
O6 Eu1 O4 C32 113.8(4) . . . 2_656 ?
O5 Eu1 O4 C32 -136.3(4) . . . 2_656 ?
O6 Eu1 O4 C32 -145.1(3) 2_556 . . 2_656 ?
O2 Eu1 O4 C32 16.9(3) 2_656 . . 2_656 ?
C52 Eu1 O4 C32 -140.3(4) . . . 2_656 ?
C12 Eu1 O4 C32 44.2(4) . . . 2_656 ?
Eu1 Eu1 O4 C32 -19.7(3) 2_656 . . 2_656 ?
O4 Eu1 O5 C52 -171.0(3) . . . . ?
O2 Eu1 O5 C52 111.9(3) . . . . ?
O7 Eu1 O5 C52 -88.1(2) . . . . ?
O3 Eu1 O5 C52 52.6(3) . . . . ?
O1 Eu1 O5 C52 -124.0(2) . . . . ?
O6 Eu1 O5 C52 -27.4(3) . . . . ?
O6 Eu1 O5 C52 0.2(2) 2_556 . . . ?
O2 Eu1 O5 C52 148.2(2) 2_656 . . . ?
C12 Eu1 O5 C52 -170.1(2) . . . . ?
Eu1 Eu1 O5 C52 127.2(2) 2_656 . . . ?
O4 Eu1 O6 C52 -106.5(4) . . . 2_556 ?
O2 Eu1 O6 C52 63.0(4) . . . 2_556 ?
O7 Eu1 O6 C52 -143.3(4) . . . 2_556 ?
O3 Eu1 O6 C52 44.1(4) . . . 2_556 ?
O1 Eu1 O6 C52 -62.2(4) . . . 2_556 ?
O5 Eu1 O6 C52 155.2(4) . . . 2_556 ?
O6 Eu1 O6 C52 131.5(5) 2_556 . . 2_556 ?
O2 Eu1 O6 C52 -21.8(4) 2_656 . . 2_556 ?
C52 Eu1 O6 C52 143.7(4) . . . 2_556 ?
C12 Eu1 O6 C52 -42.3(4) . . . 2_556 ?
Eu1 Eu1 O6 C52 8.2(4) 2_656 . . 2_556 ?
O4 Eu1 O6 Eu1 122.08(14) . . . 2_556 ?
O2 Eu1 O6 Eu1 -68.42(17) . . . 2_556 ?
O7 Eu1 O6 Eu1 85.21(13) . . . 2_556 ?
O3 Eu1 O6 Eu1 -87.36(13) . . . 2_556 ?
O1 Eu1 O6 Eu1 166.34(14) . . . 2_556 ?
O5 Eu1 O6 Eu1 23.70(15) . . . 2_556 ?
O6 Eu1 O6 Eu1 0.0 2_556 . . 2_556 ?
O2 Eu1 O6 Eu1 -153.26(11) 2_656 . . 2_556 ?
C52 Eu1 O6 Eu1 12.20(13) . . . 2_556 ?
C12 Eu1 O6 Eu1 -173.78(13) . . . 2_556 ?
Eu1 Eu1 O6 Eu1 -123.27(8) 2_656 . . 2_556 ?
C6 C1 C2 C3 -1.2(5) . . . . ?
C11 C1 C2 C3 173.8(3) . . . . ?
C1 C2 C3 C4 2.0(5) . . . . ?
C1 C2 C3 C31 -173.2(3) . . . . ?
C2 C3 C4 C5 -1.2(6) . . . . ?
C31 C3 C4 C5 174.0(4) . . . . ?
C3 C4 C5 C6 -0.4(6) . . . . ?
C3 C4 C5 C51 179.9(4) . . . . ?
C2 C1 C6 C5 -0.5(5) . . . . ?
C11 C1 C6 C5 -175.4(3) . . . . ?
C4 C5 C6 C1 1.3(5) . . . . ?
C51 C5 C6 C1 -179.1(3) . . . . ?
C6 C1 C11 C12 97.9(4) . . . . ?
C2 C1 C11 C12 -77.0(5) . . . . ?
Eu1 O1 C12 O2 1.4(4) . . . 2_656 ?
Eu1 O1 C12 C11 -178.7(3) . . . . ?
C1 C11 C12 O1 45.4(5) . . . . ?
C1 C11 C12 O2 -134.6(4) . . . 2_656 ?
C1 C11 C12 Eu1 24(6) . . . . ?
O4 Eu1 C12 O1 96.5(2) . . . . ?
O2 Eu1 C12 O1 167.4(2) . . . . ?
O7 Eu1 C12 O1 21.0(2) . . . . ?
O3 Eu1 C12 O1 -122.2(2) . . . . ?
O6 Eu1 C12 O1 -50.3(2) . . . . ?
O5 Eu1 C12 O1 95.6(3) . . . . ?
O6 Eu1 C12 O1 -64.8(4) 2_556 . . . ?
O2 Eu1 C12 O1 178.6(4) 2_656 . . . ?
C52 Eu1 C12 O1 50.9(10) . . . . ?
Eu1 Eu1 C12 O1 171.1(2) 2_656 . . . ?
O4 Eu1 C12 O2 -82.1(2) . . . 2_656 ?
O2 Eu1 C12 O2 -11.2(3) . . . 2_656 ?
O7 Eu1 C12 O2 -157.6(2) . . . 2_656 ?
O3 Eu1 C12 O2 59.2(2) . . . 2_656 ?
O1 Eu1 C12 O2 -178.6(4) . . . 2_656 ?
O6 Eu1 C12 O2 131.1(2) . . . 2_656 ?
O5 Eu1 C12 O2 -83.1(3) . . . 2_656 ?
O6 Eu1 C12 O2 116.6(3) 2_556 . . 2_656 ?
C52 Eu1 C12 O2 -127.8(9) . . . 2_656 ?
Eu1 Eu1 C12 O2 -7.57(18) 2_656 . . 2_656 ?
O4 Eu1 C12 C11 118(5) . . . . ?
O2 Eu1 C12 C11 -171(5) . . . . ?
O7 Eu1 C12 C11 43(5) . . . . ?
O3 Eu1 C12 C11 -100(5) . . . . ?
O1 Eu1 C12 C11 22(5) . . . . ?
O6 Eu1 C12 C11 -28(5) . . . . ?
O5 Eu1 C12 C11 117(5) . . . . ?
O6 Eu1 C12 C11 -43(5) 2_556 . . . ?
O2 Eu1 C12 C11 -160(5) 2_656 . . . ?
C52 Eu1 C12 C11 73(5) . . . . ?
Eu1 Eu1 C12 C11 -167(5) 2_656 . . . ?
C4 C3 C31 C32 129.4(4) . . . 1_565 ?
C2 C3 C31 C32 -55.5(5) . . . 1_565 ?
Eu1 O3 C32 O4 29.5(6) . . . 2_656 ?
Eu1 O3 C32 C31 -151.8(3) . . . 1_545 ?
C4 C5 C51 C52 -84.1(5) . . . 1_666 ?
C6 C5 C51 C52 96.3(5) . . . 1_666 ?
Eu1 O5 C52 O6 -0.4(4) . . . 2_556 ?
Eu1 O5 C52 C51 -178.2(4) . . . 1_444 ?
O4 Eu1 C52 O5 8.9(2) . . . . ?
O2 Eu1 C52 O5 -63.7(2) . . . . ?
O7 Eu1 C52 O5 84.1(2) . . . . ?
O3 Eu1 C52 O5 -133.6(2) . . . . ?
O1 Eu1 C52 O5 95.8(3) . . . . ?
O6 Eu1 C52 O5 154.8(2) . . . . ?
O6 Eu1 C52 O5 -179.6(4) 2_556 . . . ?
O2 Eu1 C52 O5 -62.9(4) 2_656 . . . ?
C12 Eu1 C52 O5 53.5(10) . . . . ?
Eu1 Eu1 C52 O5 -63.5(3) 2_656 . . . ?
O4 Eu1 C52 O6 -171.5(2) . . . 2_556 ?
O2 Eu1 C52 O6 115.9(2) . . . 2_556 ?
O7 Eu1 C52 O6 -96.3(2) . . . 2_556 ?
O3 Eu1 C52 O6 46.0(2) . . . 2_556 ?
O1 Eu1 C52 O6 -84.6(3) . . . 2_556 ?
O6 Eu1 C52 O6 -25.6(3) . . . 2_556 ?
O5 Eu1 C52 O6 179.6(4) . . . 2_556 ?
O2 Eu1 C52 O6 116.7(3) 2_656 . . 2_556 ?
C12 Eu1 C52 O6 -126.9(9) . . . 2_556 ?
Eu1 Eu1 C52 O6 116.1(2) 2_656 . . 2_556 ?
O4 Eu1 C52 C51 83(10) . . . 1_444 ?
O2 Eu1 C52 C51 10(10) . . . 1_444 ?
O7 Eu1 C52 C51 158(10) . . . 1_444 ?
O3 Eu1 C52 C51 -60(10) . . . 1_444 ?
O1 Eu1 C52 C51 170(10) . . . 1_444 ?
O6 Eu1 C52 C51 -131(10) . . . 1_444 ?
O5 Eu1 C52 C51 74(10) . . . 1_444 ?
O6 Eu1 C52 C51 -106(10) 2_556 . . 1_444 ?
O2 Eu1 C52 C51 11(10) 2_656 . . 1_444 ?
C12 Eu1 C52 C51 127(9) . . . 1_444 ?
Eu1 Eu1 C52 C51 10(10) 2_656 . . 1_444 ?
