#------------------------------------------------------------------------------
#$Date: 2016-04-05 10:45:37 +0300 (Tue, 05 Apr 2016) $
#$Revision: 181514 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/30/1543032.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_1543032
loop_
_publ_author_name
'N.N. Golovnev'
'M.S. Molokeev'
'S.N. Vereshchagin'
_publ_section_title
;
 Crystal structure and some properties of europium(III)
 Catena-{tris(1,3-diethyl-2-thiobarbiturate)}
;
_journal_issue                   1
_journal_name_full               'Journal of Structural Chemistry'
_journal_page_first              167
_journal_page_last               174
_journal_paper_doi               10.1134/S0022476616010200
_journal_volume                  57
_journal_year                    2016
_chemical_formula_moiety         'C24 H33 Eu N6 O6 S3'
_chemical_formula_sum            'C24 H33 Eu N6 O6 S3'
_chemical_formula_weight         749.70
_chemical_name_systematic
;
Catena-{tris(mu₂-1,3-diethyl-2-thiobarbiturato-O,O')}-europium(III)
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                100.9330(10)
_cell_angle_beta                 109.7040(10)
_cell_angle_gamma                101.1610(10)
_cell_formula_units_Z            2
_cell_length_a                   11.0205(2)
_cell_length_b                   11.8811(3)
_cell_length_c                   12.7312(2)
_cell_measurement_temperature    296(2)
_cell_volume                     1479.88(5)
_computing_cell_refinement       'APEX2 (Bruker, 2003-2008)'
_computing_data_collection       'APEX2 (Bruker, 2003-2008)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2005)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            18798
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.306
_diffrn_reflns_theta_min         2.044
_exptl_absorpt_coefficient_mu    2.379
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5782
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2004/1. Bruker AXS Inc., Madison, Wisconsin, USA, 2004
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_description       block
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.777
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       0.0034(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     368
_refine_ls_number_reflns         7161
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0353
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0325P)²+1.2197P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0633
_refine_ls_wR_factor_ref         0.0673
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6275
_reflns_number_total             7161
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            EuDETBA3.cif
_cod_data_source_block           a
_cod_database_code               1543032
_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.
;
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu Eu 0.16204(2) 0.96106(2) 0.29072(2) 0.02288(6) Uani 1 1 d . . . . .
S1 S 0.47964(12) 0.51255(9) 0.25010(10) 0.0638(3) Uani 1 1 d . . . . .
O1A O 0.3022(3) 0.8631(3) 0.2533(2) 0.0519(7) Uani 1 1 d . . . . .
O2A O 0.7157(3) 0.9010(2) 0.5435(2) 0.0535(7) Uani 1 1 d . . . . .
N1A N 0.6033(3) 0.7280(3) 0.4002(2) 0.0403(6) Uani 1 1 d . . . . .
N3A N 0.3987(3) 0.7092(3) 0.2522(2) 0.0386(6) Uani 1 1 d . . . . .
C2A C 0.4951(3) 0.6560(3) 0.3026(3) 0.0396(7) Uani 1 1 d . . . . .
C4A C 0.4038(3) 0.8264(3) 0.2996(3) 0.0390(7) Uani 1 1 d . . . . .
C5A C 0.5169(4) 0.8947(3) 0.3930(3) 0.0399(7) Uani 1 1 d . . . . .
H5A H 0.5274 0.9759 0.4194 0.048 Uiso 1 1 calc R U . . .
C6A C 0.6154(3) 0.8465(3) 0.4489(3) 0.0390(7) Uani 1 1 d . . . . .
C7A C 0.7112(4) 0.6779(4) 0.4614(4) 0.0589(11) Uani 1 1 d . . . . .
H71A H 0.7971 0.7374 0.4891 0.071 Uiso 1 1 calc R U . . .
H72A H 0.7130 0.6095 0.4071 0.071 Uiso 1 1 calc R U . . .
C8A C 0.6929(5) 0.6406(4) 0.5612(4) 0.0779(15) Uani 1 1 d . . . . .
H81A H 0.7681 0.6140 0.6010 0.093 Uiso 1 1 calc R U . . .
H82A H 0.6120 0.5766 0.5335 0.093 Uiso 1 1 calc R U . . .
H83A H 0.6869 0.7070 0.6135 0.093 Uiso 1 1 calc R U . . .
C9A C 0.2853(4) 0.6402(4) 0.1399(3) 0.0529(10) Uani 1 1 d . . . . .
H91A H 0.3166 0.5859 0.0951 0.063 Uiso 1 1 calc R U . . .
H92A H 0.2563 0.6950 0.0958 0.063 Uiso 1 1 calc R U . . .
C10A C 0.1682(4) 0.5703(5) 0.1567(4) 0.0829(17) Uani 1 1 d . . . . .
H11A H 0.1988 0.5253 0.2105 0.099 Uiso 1 1 calc R U . . .
H12A H 0.1052 0.5167 0.0835 0.099 Uiso 1 1 calc R U . . .
H13A H 0.1253 0.6240 0.1867 0.099 Uiso 1 1 calc R U . . .
S2 S 0.15277(11) 0.58904(9) 0.66935(10) 0.0551(3) Uani 1 1 d . . . . .
O1B O 0.1435(3) 0.8483(2) 0.4091(2) 0.0485(6) Uani 1 1 d . . . . .
O2B O 0.0071(2) 0.9573(2) 0.7147(2) 0.0504(6) Uani 1 1 d . . . . .
N1B N 0.0698(3) 0.7855(3) 0.6842(2) 0.0383(6) Uani 1 1 d . . . . .
N3B N 0.1343(3) 0.7304(2) 0.5290(2) 0.0347(6) Uani 1 1 d . . . . .
C2B C 0.1175(3) 0.7067(3) 0.6260(3) 0.0361(7) Uani 1 1 d . . . . .
C4B C 0.1245(3) 0.8360(3) 0.4997(3) 0.0360(7) Uani 1 1 d . . . . .
C5B C 0.0928(3) 0.9190(3) 0.5705(3) 0.0418(8) Uani 1 1 d . . . . .
H5B H 0.0970 0.9945 0.5592 0.050 Uiso 1 1 calc R U . . .
C6B C 0.0548(3) 0.8917(3) 0.6578(3) 0.0387(7) Uani 1 1 d . . . . .
C7B C 0.0421(4) 0.7620(4) 0.7850(3) 0.0540(10) Uani 1 1 d . . . . .
H71B H 0.0156 0.6766 0.7745 0.065 Uiso 1 1 calc R U . . .
H72B H -0.0317 0.7929 0.7900 0.065 Uiso 1 1 calc R U . . .
C8B C 0.1650(5) 0.8202(5) 0.8970(4) 0.0775(15) Uani 1 1 d . . . . .
H81B H 0.2378 0.7892 0.8925 0.093 Uiso 1 1 calc R U . . .
H82B H 0.1447 0.8034 0.9610 0.093 Uiso 1 1 calc R U . . .
H83B H 0.1901 0.9050 0.9084 0.093 Uiso 1 1 calc R U . . .
C9B C 0.1736(4) 0.6446(3) 0.4558(3) 0.0455(8) Uani 1 1 d . . . . .
H91B H 0.1366 0.6480 0.3761 0.055 Uiso 1 1 calc R U . . .
H92B H 0.1366 0.5644 0.4579 0.055 Uiso 1 1 calc R U . . .
C10B C 0.3252(4) 0.6714(4) 0.4970(4) 0.0554(10) Uani 1 1 d . . . . .
H11B H 0.3607 0.6547 0.5704 0.066 Uiso 1 1 calc R U . . .
H12B H 0.3632 0.7541 0.5053 0.066 Uiso 1 1 calc R U . . .
H13B H 0.3477 0.6225 0.4411 0.066 Uiso 1 1 calc R U . . .
S3 S -0.49858(10) 0.73337(12) 0.00024(11) 0.0647(3) Uani 1 1 d . . . . .
O1C O -0.0040(2) 0.8255(2) 0.1424(2) 0.0459(6) Uani 1 1 d . . . . .
O2C O -0.2318(3) 0.9172(2) -0.1981(2) 0.0490(6) Uani 1 1 d . . . . .
N1C N -0.3475(3) 0.8276(3) -0.1034(2) 0.0374(6) Uani 1 1 d . . . . .
N3C N -0.2328(3) 0.7860(3) 0.0706(2) 0.0376(6) Uani 1 1 d . . . . .
C2C C -0.3537(3) 0.7838(3) -0.0114(3) 0.0393(8) Uani 1 1 d . . . . .
C4C C -0.1110(3) 0.8270(3) 0.0620(3) 0.0351(7) Uani 1 1 d . . . . .
C5C C -0.1113(3) 0.8689(3) -0.0312(3) 0.0384(7) Uani 1 1 d . . . . .
H5C H -0.0304 0.8949 -0.0391 0.046 Uiso 1 1 calc R U . . .
C6C C -0.2280(3) 0.8736(3) -0.1135(3) 0.0362(7) Uani 1 1 d . . . . .
C7C C -0.4727(4) 0.8252(4) -0.1961(3) 0.0556(11) Uani 1 1 d . . . . .
H71C H -0.5429 0.7557 -0.2064 0.067 Uiso 1 1 calc R U . . .
H72C H -0.4593 0.8174 -0.2683 0.067 Uiso 1 1 calc R U . . .
C8C C -0.5179(4) 0.9356(5) -0.1705(4) 0.0737(14) Uani 1 1 d . . . . .
H81C H -0.5430 0.9381 -0.1050 0.088 Uiso 1 1 calc R U . . .
H82C H -0.5936 0.9338 -0.2368 0.088 Uiso 1 1 calc R U . . .
H83C H -0.4458 1.0052 -0.1532 0.088 Uiso 1 1 calc R U . . .
C9C C -0.2315(4) 0.7372(4) 0.1696(3) 0.0573(11) Uani 1 1 d . . . . .
H91C H -0.3074 0.7478 0.1887 0.069 Uiso 1 1 calc R U . . .
H92C H -0.1501 0.7807 0.2369 0.069 Uiso 1 1 calc R U . . .
C10C C -0.2383(6) 0.6080(5) 0.1414(5) 0.0936(18) Uani 1 1 d . . . . .
H11C H -0.1674 0.5967 0.1164 0.112 Uiso 1 1 calc R U . . .
H12C H -0.3233 0.5637 0.0804 0.112 Uiso 1 1 calc R U . . .
H13C H -0.2285 0.5804 0.2091 0.112 Uiso 1 1 calc R U . . .
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'
N N 0.0061 0.0033 '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'
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
O2A Eu O1C 164.41(10) 2_676 .
O2A Eu O2C 89.15(10) 2_676 2_575
O1C Eu O2C 99.88(10) . 2_575
O2A Eu O1A 105.19(11) 2_676 .
O1C Eu O1A 88.33(10) . .
O2C Eu O1A 85.17(10) 2_575 .
O2A Eu O1B 82.37(9) 2_676 .
O1C Eu O1B 90.83(9) . .
O2C Eu O1B 166.43(9) 2_575 .
O1A Eu O1B 86.84(10) . .
O2A Eu O2B 86.99(10) 2_676 2_576
O1C Eu O2B 80.27(9) . 2_576
O2C Eu O2B 90.68(10) 2_575 2_576
O1A Eu O2B 167.03(9) . 2_576
O1B Eu O2B 99.41(10) . 2_576
O2A Eu C4C 153.84(10) 2_676 .
O1C Eu C4C 16.09(9) . .
O2C Eu C4C 90.84(9) 2_575 .
O1A Eu C4C 100.87(9) . .
O1B Eu C4C 101.44(9) . .
O2B Eu C4C 66.85(9) 2_576 .
C4A O1A Eu 144.1(2) . .
C6A O2A Eu 158.0(3) . 2_676
C2A N1A C6A 123.2(3) . .
C2A N1A C7A 119.9(3) . .
C6A N1A C7A 116.8(3) . .
C2A N3A C4A 122.8(3) . .
C2A N3A C9A 119.1(3) . .
C4A N3A C9A 118.0(3) . .
N3A C2A N1A 116.1(3) . .
N3A C2A S1 121.7(3) . .
N1A C2A S1 122.2(3) . .
O1A C4A C5A 124.2(3) . .
O1A C4A N3A 117.9(3) . .
C5A C4A N3A 117.9(3) . .
C4A C5A C6A 121.7(3) . .
C4A C5A H5A 119.1 . .
C6A C5A H5A 119.1 . .
O2A C6A C5A 125.3(3) . .
O2A C6A N1A 117.1(3) . .
C5A C6A N1A 117.6(3) . .
N1A C7A C8A 112.6(4) . .
N1A C7A H71A 109.1 . .
C8A C7A H71A 109.1 . .
N1A C7A H72A 109.1 . .
C8A C7A H72A 109.1 . .
H71A C7A H72A 107.8 . .
C7A C8A H81A 109.5 . .
C7A C8A H82A 109.5 . .
H81A C8A H82A 109.5 . .
C7A C8A H83A 109.5 . .
H81A C8A H83A 109.5 . .
H82A C8A H83A 109.5 . .
N3A C9A C10A 112.6(3) . .
N3A C9A H91A 109.1 . .
C10A C9A H91A 109.1 . .
N3A C9A H92A 109.1 . .
C10A C9A H92A 109.1 . .
H91A C9A H92A 107.8 . .
C9A C10A H11A 109.5 . .
C9A C10A H12A 109.5 . .
H11A C10A H12A 109.5 . .
C9A C10A H13A 109.5 . .
H11A C10A H13A 109.5 . .
H12A C10A H13A 109.5 . .
C4B O1B Eu 149.4(2) . .
C6B O2B Eu 146.7(2) . 2_576
C2B N1B C6B 122.9(3) . .
C2B N1B C7B 119.2(3) . .
C6B N1B C7B 117.7(3) . .
C2B N3B C4B 123.1(3) . .
C2B N3B C9B 119.6(3) . .
C4B N3B C9B 117.1(3) . .
N1B C2B N3B 116.3(3) . .
N1B C2B S2 122.1(2) . .
N3B C2B S2 121.6(3) . .
O1B C4B C5B 125.1(3) . .
O1B C4B N3B 117.5(3) . .
C5B C4B N3B 117.4(3) . .
C6B C5B C4B 121.3(3) . .
C6B C5B H5B 119.3 . .
C4B C5B H5B 119.3 . .
O2B C6B C5B 124.1(3) . .
O2B C6B N1B 118.2(3) . .
C5B C6B N1B 117.7(3) . .
N1B C7B C8B 111.1(3) . .
N1B C7B H71B 109.4 . .
C8B C7B H71B 109.4 . .
N1B C7B H72B 109.4 . .
C8B C7B H72B 109.4 . .
H71B C7B H72B 108.0 . .
C7B C8B H81B 109.5 . .
C7B C8B H82B 109.5 . .
H81B C8B H82B 109.5 . .
C7B C8B H83B 109.5 . .
H81B C8B H83B 109.5 . .
H82B C8B H83B 109.5 . .
N3B C9B C10B 111.5(3) . .
N3B C9B H91B 109.3 . .
C10B C9B H91B 109.3 . .
N3B C9B H92B 109.3 . .
C10B C9B H92B 109.3 . .
H91B C9B H92B 108.0 . .
C9B C10B H11B 109.5 . .
C9B C10B H12B 109.5 . .
H11B C10B H12B 109.5 . .
C9B C10B H13B 109.5 . .
H11B C10B H13B 109.5 . .
H12B C10B H13B 109.5 . .
C4C O1C Eu 135.3(2) . .
C6C O2C Eu 157.1(2) . 2_575
C6C N1C C2C 122.9(3) . .
C6C N1C C7C 117.5(3) . .
C2C N1C C7C 119.5(3) . .
C2C N3C C4C 122.8(3) . .
C2C N3C C9C 119.5(3) . .
C4C N3C C9C 117.6(3) . .
N3C C2C N1C 116.4(3) . .
N3C C2C S3 121.9(2) . .
N1C C2C S3 121.7(2) . .
O1C C4C C5C 123.5(3) . .
O1C C4C N3C 118.3(3) . .
C5C C4C N3C 118.2(3) . .
O1C C4C Eu 28.59(15) . .
C5C C4C Eu 112.0(2) . .
N3C C4C Eu 121.6(2) . .
C4C C5C C6C 121.8(3) . .
C4C C5C H5C 119.1 . .
C6C C5C H5C 119.1 . .
O2C C6C C5C 123.7(3) . .
O2C C6C N1C 118.5(3) . .
C5C C6C N1C 117.8(3) . .
N1C C7C C8C 112.8(4) . .
N1C C7C H71C 109.0 . .
C8C C7C H71C 109.0 . .
N1C C7C H72C 109.0 . .
C8C C7C H72C 109.0 . .
H71C C7C H72C 107.8 . .
C7C C8C H81C 109.5 . .
C7C C8C H82C 109.5 . .
H81C C8C H82C 109.5 . .
C7C C8C H83C 109.5 . .
H81C C8C H83C 109.5 . .
H82C C8C H83C 109.5 . .
N3C C9C C10C 111.1(4) . .
N3C C9C H91C 109.4 . .
C10C C9C H91C 109.4 . .
N3C C9C H92C 109.4 . .
C10C C9C H92C 109.4 . .
H91C C9C H92C 108.0 . .
C9C C10C H11C 109.5 . .
C9C C10C H12C 109.5 . .
H11C C10C H12C 109.5 . .
C9C C10C H13C 109.5 . .
H11C C10C H13C 109.5 . .
H12C C10C H13C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu O2A 2.207(2) 2_676
Eu O1C 2.210(2) .
Eu O2C 2.213(2) 2_575
Eu O1A 2.225(3) .
Eu O1B 2.231(2) .
Eu O2B 2.249(2) 2_576
Eu C4C 3.247(3) .
S1 C2A 1.661(4) .
O1A C4A 1.278(4) .
O2A C6A 1.273(4) .
O2A Eu 2.207(2) 2_676
N1A C2A 1.379(4) .
N1A C6A 1.388(4) .
N1A C7A 1.483(4) .
N3A C2A 1.376(4) .
N3A C4A 1.391(4) .
N3A C9A 1.494(4) .
C4A C5A 1.367(5) .
C5A C6A 1.373(5) .
C5A H5A 0.9300 .
C7A C8A 1.483(6) .
C7A H71A 0.9700 .
C7A H72A 0.9700 .
C8A H81A 0.9600 .
C8A H82A 0.9600 .
C8A H83A 0.9600 .
C9A C10A 1.496(6) .
C9A H91A 0.9700 .
C9A H92A 0.9700 .
C10A H11A 0.9600 .
C10A H12A 0.9600 .
C10A H13A 0.9600 .
S2 C2B 1.664(3) .
O1B C4B 1.268(4) .
O2B C6B 1.269(4) .
O2B Eu 2.249(2) 2_576
N1B C2B 1.376(4) .
N1B C6B 1.392(4) .
N1B C7B 1.478(4) .
N3B C2B 1.380(4) .
N3B C4B 1.389(4) .
N3B C9B 1.475(4) .
C4B C5B 1.385(5) .
C5B C6B 1.382(5) .
C5B H5B 0.9300 .
C7B C8B 1.519(6) .
C7B H71B 0.9700 .
C7B H72B 0.9700 .
C8B H81B 0.9600 .
C8B H82B 0.9600 .
C8B H83B 0.9600 .
C9B C10B 1.519(5) .
C9B H91B 0.9700 .
C9B H92B 0.9700 .
C10B H11B 0.9600 .
C10B H12B 0.9600 .
C10B H13B 0.9600 .
S3 C2C 1.660(3) .
O1C C4C 1.280(4) .
O2C C6C 1.274(4) .
O2C Eu 2.213(2) 2_575
N1C C6C 1.383(4) .
N1C C2C 1.385(4) .
N1C C7C 1.473(4) .
N3C C2C 1.380(4) .
N3C C4C 1.385(4) .
N3C C9C 1.481(4) .
C4C C5C 1.371(5) .
C5C C6C 1.377(4) .
C5C H5C 0.9300 .
C7C C8C 1.509(7) .
C7C H71C 0.9700 .
C7C H72C 0.9700 .
C8C H81C 0.9600 .
C8C H82C 0.9600 .
C8C H83C 0.9600 .
C9C C10C 1.489(7) .
C9C H91C 0.9700 .
C9C H92C 0.9700 .
C10C H11C 0.9600 .
C10C H12C 0.9600 .
C10C H13C 0.9600 .
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
C4A N3A C2A N1A -4.2(5) . . . .
C9A N3A C2A N1A 174.2(3) . . . .
C4A N3A C2A S1 174.7(3) . . . .
C9A N3A C2A S1 -7.0(5) . . . .
C6A N1A C2A N3A 2.0(5) . . . .
C7A N1A C2A N3A 179.1(3) . . . .
C6A N1A C2A S1 -176.9(3) . . . .
C7A N1A C2A S1 0.3(5) . . . .
Eu O1A C4A C5A -46.5(6) . . . .
Eu O1A C4A N3A 133.4(4) . . . .
C2A N3A C4A O1A -172.3(3) . . . .
C9A N3A C4A O1A 9.3(5) . . . .
C2A N3A C4A C5A 7.5(5) . . . .
C9A N3A C4A C5A -170.9(3) . . . .
O1A C4A C5A C6A 171.2(3) . . . .
N3A C4A C5A C6A -8.6(5) . . . .
Eu O2A C6A C5A 18.3(9) 2_676 . . .
Eu O2A C6A N1A -160.0(5) 2_676 . . .
C4A C5A C6A O2A -171.7(3) . . . .
C4A C5A C6A N1A 6.5(5) . . . .
C2A N1A C6A O2A 175.3(3) . . . .
C7A N1A C6A O2A -2.0(5) . . . .
C2A N1A C6A C5A -3.1(5) . . . .
C7A N1A C6A C5A 179.6(3) . . . .
C2A N1A C7A C8A -96.1(4) . . . .
C6A N1A C7A C8A 81.3(4) . . . .
C2A N3A C9A C10A 89.3(5) . . . .
C4A N3A C9A C10A -92.3(5) . . . .
C6B N1B C2B N3B -8.1(4) . . . .
C7B N1B C2B N3B 176.6(3) . . . .
C6B N1B C2B S2 172.1(2) . . . .
C7B N1B C2B S2 -3.2(4) . . . .
C4B N3B C2B N1B 9.7(4) . . . .
C9B N3B C2B N1B -174.6(3) . . . .
C4B N3B C2B S2 -170.5(2) . . . .
C9B N3B C2B S2 5.2(4) . . . .
Eu O1B C4B C5B 5.1(7) . . . .
Eu O1B C4B N3B -176.0(3) . . . .
C2B N3B C4B O1B 179.2(3) . . . .
C9B N3B C4B O1B 3.5(4) . . . .
C2B N3B C4B C5B -1.8(5) . . . .
C9B N3B C4B C5B -177.5(3) . . . .
O1B C4B C5B C6B 170.5(3) . . . .
N3B C4B C5B C6B -8.4(5) . . . .
Eu O2B C6B C5B 63.7(6) 2_576 . . .
Eu O2B C6B N1B -116.1(4) 2_576 . . .
C4B C5B C6B O2B -169.9(3) . . . .
C4B C5B C6B N1B 9.9(5) . . . .
C2B N1B C6B O2B 178.5(3) . . . .
C7B N1B C6B O2B -6.2(4) . . . .
C2B N1B C6B C5B -1.3(5) . . . .
C7B N1B C6B C5B 174.0(3) . . . .
C2B N1B C7B C8B 90.5(4) . . . .
C6B N1B C7B C8B -85.1(4) . . . .
C2B N3B C9B C10B -89.3(4) . . . .
C4B N3B C9B C10B 86.6(4) . . . .
C4C N3C C2C N1C -1.4(5) . . . .
C9C N3C C2C N1C -178.1(3) . . . .
C4C N3C C2C S3 179.6(3) . . . .
C9C N3C C2C S3 2.8(5) . . . .
C6C N1C C2C N3C -1.2(5) . . . .
C7C N1C C2C N3C 178.4(3) . . . .
C6C N1C C2C S3 177.9(3) . . . .
C7C N1C C2C S3 -2.5(5) . . . .
Eu O1C C4C C5C 74.1(5) . . . .
Eu O1C C4C N3C -104.8(3) . . . .
C2C N3C C4C O1C -179.9(3) . . . .
C9C N3C C4C O1C -3.1(5) . . . .
C2C N3C C4C C5C 1.2(5) . . . .
C9C N3C C4C C5C 178.0(3) . . . .
C2C N3C C4C Eu 147.2(3) . . . .
C9C N3C C4C Eu -36.0(4) . . . .
O1C C4C C5C C6C -177.3(3) . . . .
N3C C4C C5C C6C 1.6(5) . . . .
Eu C4C C5C C6C -147.5(3) . . . .
Eu O2C C6C C5C -33.7(9) 2_575 . . .
Eu O2C C6C N1C 146.6(5) 2_575 . . .
C4C C5C C6C O2C 176.4(3) . . . .
C4C C5C C6C N1C -3.9(5) . . . .
C2C N1C C6C O2C -176.6(3) . . . .
C7C N1C C6C O2C 3.9(5) . . . .
C2C N1C C6C C5C 3.7(5) . . . .
C7C N1C C6C C5C -175.8(3) . . . .
C6C N1C C7C C8C -91.9(4) . . . .
C2C N1C C7C C8C 88.5(4) . . . .
C2C N3C C9C C10C 90.3(5) . . . .
C4C N3C C9C C10C -86.6(5) . . . .

_cod_database_fobs_code 1543032
