#------------------------------------------------------------------------------
#$Date: 2017-11-07 05:31:36 +0200 (Tue, 07 Nov 2017) $
#$Revision: 202881 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/46/7044674.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_7044674
loop_
_publ_author_name
'Xiao, Ying-Hui'
'Deng, Zhaopeng'
'Zhu, Zhi-Biao'
'Huo, Li-Hua'
'Gao, Shan'
_publ_section_title
;
 Rare Earth Metal-Organic Complexes Constructed from Hydroxyl and Carboxyl
 Modified Arenesulfonate: Syntheses, Structure Evolutions, Ultraviolet,
 Visible and Near-Infrared Luminescence
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C7DT03254D
_journal_year                    2017
_chemical_formula_moiety         'C16 H34 Eu2 O28 S2, 2(C7 H5 O6 S), 8(H2 O)'
_chemical_formula_sum            'C30 H60 Eu2 O48 S4'
_chemical_formula_weight         1620.94
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_audit_update_record
;
2017-05-13 deposited with the CCDC.
2017-11-06 downloaded from the CCDC.
;
_cell_angle_alpha                107.260(4)
_cell_angle_beta                 96.890(4)
_cell_angle_gamma                96.645(4)
_cell_formula_units_Z            1
_cell_length_a                   7.9008(4)
_cell_length_b                   12.3804(6)
_cell_length_c                   15.0796(7)
_cell_measurement_reflns_used    4418
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      3.27
_cell_volume                     1380.49(12)
_computing_cell_refinement
;
CrysAlis Pro (Agilent, 2013)
;
_computing_data_collection
;
CrysAlis Pro (Agilent, 2013)
;
_computing_data_reduction
;
CrysAlis Pro (Agilent, 2013)
;
_computing_molecular_graphics    '(K. Brandenburg, Diamond 3.1, 2009)'
_computing_publication_material  '(K. Brandenburg, Diamond 3.1, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 16.1954
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_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  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0592
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8219
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         3.27
_exptl_absorpt_coefficient_mu    2.526
_exptl_absorpt_correction_T_max  0.7187
_exptl_absorpt_correction_T_min  0.6065
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlis Pro (Agilent, 2013)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.950
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             814
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.705
_refine_diff_density_min         -0.769
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         6310
_refine_ls_number_restraints     34
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0339
_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)+(0.0246P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0674
_refine_ls_wR_factor_ref         0.0711
_reflns_number_gt                5538
_reflns_number_total             6310
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7dt03254d2.cif
_cod_data_source_block           2-Eu
_cod_original_cell_volume        1380.48(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7044674
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
Eu1 Eu 0.79601(2) 0.705690(15) 0.518907(12) 0.01695(6) Uani 1 1 d .
S1 S 0.74140(12) 0.64583(8) 0.74797(6) 0.0208(2) Uani 1 1 d .
S2 S 0.56406(14) 1.13671(8) 0.76833(7) 0.0291(2) Uani 1 1 d .
O1 O 0.7900(3) 0.6981(2) 0.67808(17) 0.0257(6) Uani 1 1 d .
O1W O 0.6343(4) 0.8656(2) 0.5928(2) 0.0311(7) Uani 1 1 d D
H1W1 H 0.696(5) 0.929(2) 0.624(2) 0.047 Uiso 1 1 d D
H1W2 H 0.584(5) 0.837(3) 0.630(2) 0.047 Uiso 1 1 d D
O2W O 0.9939(4) 0.8760(3) 0.62877(19) 0.0343(7) Uani 1 1 d D
H2W1 H 1.029(5) 0.889(4) 0.6872(10) 0.051 Uiso 1 1 d D
H2W2 H 1.080(3) 0.891(4) 0.603(2) 0.051 Uiso 1 1 d D
O2 O 0.5634(3) 0.5904(2) 0.72614(19) 0.0312(7) Uani 1 1 d .
O3 O 0.8616(4) 0.5716(2) 0.76711(19) 0.0297(6) Uani 1 1 d .
O3W O 0.8654(4) 0.8501(2) 0.4444(2) 0.0341(7) Uani 1 1 d D
H3W1 H 0.890(6) 0.830(3) 0.3892(15) 0.051 Uiso 1 1 d D
H3W2 H 0.820(6) 0.910(2) 0.454(3) 0.051 Uiso 1 1 d D
O4 O 0.5625(4) 0.8496(2) 0.77992(18) 0.0274(6) Uani 1 1 d D
H4O H 0.534(5) 0.9152(18) 0.790(3) 0.041 Uiso 1 1 d D
O4W O 0.6022(4) 0.6474(2) 0.36326(19) 0.0289(6) Uani 1 1 d D
H4W1 H 0.548(5) 0.5805(14) 0.334(2) 0.043 Uiso 1 1 d D
H4W2 H 0.578(5) 0.692(2) 0.332(2) 0.043 Uiso 1 1 d D
O5 O 0.7421(4) 1.1222(2) 1.1046(2) 0.0351(7) Uani 1 1 d D
H5O H 0.765(6) 1.180(2) 1.153(2) 0.053 Uiso 1 1 d D
O5W O 0.9488(4) 0.6260(3) 0.38834(19) 0.0336(7) Uani 1 1 d D
H5W1 H 1.052(2) 0.659(4) 0.394(3) 0.050 Uiso 1 1 d D
H5W2 H 0.900(4) 0.605(4) 0.3316(12) 0.050 Uiso 1 1 d D
O6 O 0.9247(4) 1.0410(3) 1.1801(2) 0.0395(8) Uani 1 1 d .
O6W O 1.0585(4) 0.6472(3) 0.5678(2) 0.0357(7) Uani 1 1 d D
H6W1 H 1.113(5) 0.599(3) 0.536(2) 0.054 Uiso 1 1 d D
H6W2 H 1.097(5) 0.665(4) 0.6257(8) 0.054 Uiso 1 1 d D
O7W O 0.7271(4) 0.2499(3) 0.5763(2) 0.0415(8) Uani 1 1 d D
H7W1 H 0.684(5) 0.244(4) 0.624(2) 0.062 Uiso 1 1 d D
H7W2 H 0.656(5) 0.272(4) 0.541(3) 0.062 Uiso 1 1 d D
O7 O 0.7233(4) 1.0966(3) 0.7429(2) 0.0507(9) Uani 1 1 d .
O8 O 0.4747(5) 1.1712(3) 0.6946(2) 0.0613(11) Uani 1 1 d .
O8W O 0.7328(4) 1.0421(3) 0.4503(3) 0.0547(10) Uani 1 1 d D
H8W1 H 0.631(3) 1.013(4) 0.423(3) 0.082 Uiso 1 1 d D
H8W2 H 0.733(6) 1.107(2) 0.491(3) 0.082 Uiso 1 1 d D
O9W O 0.7723(4) 1.3162(2) 1.2500(2) 0.0340(7) Uani 1 1 d D
H9W1 H 0.675(3) 1.329(3) 1.265(3) 0.051 Uiso 1 1 d D
H9W2 H 0.821(5) 1.372(2) 1.236(3) 0.051 Uiso 1 1 d D
O9 O 0.4550(4) 1.0533(2) 0.7955(2) 0.0352(7) Uani 1 1 d .
O10 O 0.7615(5) 1.3612(2) 0.7812(2) 0.0409(8) Uani 1 1 d D
H10O H 0.802(6) 1.4277(19) 0.781(4) 0.061 Uiso 1 1 d D
O10W O 0.9317(4) 1.8292(3) 1.2562(2) 0.0422(8) Uani 1 1 d D
HAW H 1.0381(19) 1.842(4) 1.252(4) 0.063 Uiso 1 1 d D
HBW H 0.879(5) 1.876(3) 1.238(4) 0.063 Uiso 1 1 d D
O11 O 0.8294(5) 1.6425(3) 1.1052(2) 0.0489(9) Uani 1 1 d D
H11O H 0.861(7) 1.696(3) 1.157(2) 0.073 Uiso 1 1 d D
O12 O 0.7821(4) 1.5340(3) 1.1964(2) 0.0455(8) Uani 1 1 d .
O13 O 0.7162(3) 0.5026(2) 0.48639(19) 0.0247(6) Uani 1 1 d .
O14 O 0.5110(3) 0.3543(2) 0.47053(18) 0.0228(6) Uani 1 1 d .
C1 C 0.7647(5) 0.7617(3) 0.8540(2) 0.0201(8) Uani 1 1 d .
C2 C 0.6710(5) 0.8533(3) 0.8581(2) 0.0210(8) Uani 1 1 d .
C3 C 0.6935(5) 0.9433(3) 0.9414(3) 0.0231(8) Uani 1 1 d .
H3A H 0.6332 1.0043 0.9449 0.028 Uiso 1 1 calc R
C4 C 0.8055(5) 0.9431(3) 1.0197(3) 0.0226(8) Uani 1 1 d .
C5 C 0.8984(5) 0.8536(3) 1.0153(3) 0.0266(9) Uani 1 1 d .
H5A H 0.9738 0.8540 1.0678 0.032 Uiso 1 1 calc R
C6 C 0.8780(5) 0.7640(3) 0.9324(3) 0.0255(8) Uani 1 1 d .
H6A H 0.9411 0.7044 0.9291 0.031 Uiso 1 1 calc R
C7 C 0.8313(5) 1.0402(3) 1.1093(3) 0.0266(9) Uani 1 1 d .
C8 C 0.6223(5) 1.2594(3) 0.8695(3) 0.0239(8) Uani 1 1 d .
C9 C 0.7171(5) 1.3599(3) 0.8650(3) 0.0278(9) Uani 1 1 d .
C10 C 0.7630(5) 1.4538(3) 0.9456(3) 0.0295(9) Uani 1 1 d .
H10A H 0.8243 1.5213 0.9430 0.035 Uiso 1 1 calc R
C11 C 0.7178(5) 1.4476(3) 1.0300(3) 0.0274(9) Uani 1 1 d .
C12 C 0.6204(6) 1.3496(3) 1.0347(3) 0.0325(10) Uani 1 1 d .
H12A H 0.5869 1.3465 1.0911 0.039 Uiso 1 1 calc R
C13 C 0.5741(5) 1.2566(4) 0.9541(3) 0.0323(10) Uani 1 1 d .
H13A H 0.5088 1.1904 0.9566 0.039 Uiso 1 1 calc R
C14 C 0.7786(5) 1.5458(4) 1.1193(3) 0.0299(9) Uani 1 1 d .
C15 C 0.5647(5) 0.4580(3) 0.4869(2) 0.0182(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
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
O6W Eu1 O13 76.62(10) . .
O6W Eu1 O3W 107.87(11) . .
O13 Eu1 O3W 142.60(9) . .
O6W Eu1 O1 72.96(9) . .
O13 Eu1 O1 79.95(9) . .
O3W Eu1 O1 137.37(9) . .
O6W Eu1 O5W 66.97(10) . .
O13 Eu1 O5W 77.52(10) . .
O3W Eu1 O5W 71.02(10) . .
O1 Eu1 O5W 137.44(9) . .
O6W Eu1 O2W 71.21(11) . .
O13 Eu1 O2W 142.30(10) . .
O3W Eu1 O2W 68.22(10) . .
O1 Eu1 O2W 72.33(9) . .
O5W Eu1 O2W 106.45(10) . .
O6W Eu1 O14 132.78(10) . 2_666
O13 Eu1 O14 65.98(8) . 2_666
O3W Eu1 O14 119.34(10) . 2_666
O1 Eu1 O14 73.05(9) . 2_666
O5W Eu1 O14 126.92(9) . 2_666
O2W Eu1 O14 126.14(9) . 2_666
O6W Eu1 O4W 131.78(10) . .
O13 Eu1 O4W 77.44(9) . .
O3W Eu1 O4W 72.49(10) . .
O1 Eu1 O4W 139.61(9) . .
O5W Eu1 O4W 68.15(10) . .
O2W Eu1 O4W 139.59(10) . .
O14 Eu1 O4W 67.28(9) 2_666 .
O6W Eu1 O1W 134.22(10) . .
O13 Eu1 O1W 128.80(9) . .
O3W Eu1 O1W 75.38(10) . .
O1 Eu1 O1W 75.51(9) . .
O5W Eu1 O1W 145.19(10) . .
O2W Eu1 O1W 68.08(10) . .
O14 Eu1 O1W 64.13(9) 2_666 .
O4W Eu1 O1W 93.43(9) . .
O6W Eu1 C15 93.65(10) . .
O13 Eu1 C15 19.19(8) . .
O3W Eu1 C15 143.64(9) . .
O1 Eu1 C15 76.34(9) . .
O5W Eu1 C15 92.20(10) . .
O2W Eu1 C15 148.00(9) . .
O14 Eu1 C15 46.80(8) 2_666 .
O4W Eu1 C15 71.32(9) . .
O1W Eu1 C15 110.16(9) . .
O6W Eu1 H1W2 129.0(8) . .
O13 Eu1 H1W2 113.7(5) . .
O3W Eu1 H1W2 92.6(4) . .
O1 Eu1 H1W2 61.2(7) . .
O5W Eu1 H1W2 161.2(6) . .
O2W Eu1 H1W2 74.5(7) . .
O14 Eu1 H1W2 52.9(7) 2_666 .
O4W Eu1 H1W2 98.6(9) . .
O1W Eu1 H1W2 17.3(4) . .
C15 Eu1 H1W2 96.1(5) . .
O2 S1 O1 112.80(17) . .
O2 S1 O3 112.88(17) . .
O1 S1 O3 112.17(16) . .
O2 S1 C1 107.68(17) . .
O1 S1 C1 105.03(16) . .
O3 S1 C1 105.59(17) . .
O8 S2 O9 112.6(2) . .
O8 S2 O7 111.1(2) . .
O9 S2 O7 111.81(19) . .
O8 S2 C8 107.58(18) . .
O9 S2 C8 106.14(18) . .
O7 S2 C8 107.25(19) . .
S1 O1 Eu1 154.70(16) . .
Eu1 O1W H1W1 116(3) . .
Eu1 O1W H1W2 101(3) . .
H1W1 O1W H1W2 109.7(17) . .
Eu1 O2W H2W1 127(3) . .
Eu1 O2W H2W2 109(3) . .
H2W1 O2W H2W2 108.7(17) . .
Eu1 O3W H3W1 119(3) . .
Eu1 O3W H3W2 123(3) . .
H3W1 O3W H3W2 110.2(17) . .
C2 O4 H4O 106(3) . .
Eu1 O4W H4W1 125(2) . .
Eu1 O4W H4W2 125(2) . .
H4W1 O4W H4W2 109.8(17) . .
C7 O5 H5O 114(3) . .
Eu1 O5W H5W1 116(3) . .
Eu1 O5W H5W2 122(3) . .
H5W1 O5W H5W2 110.4(17) . .
Eu1 O6W H6W1 129(3) . .
Eu1 O6W H6W2 119(3) . .
H6W1 O6W H6W2 110.4(17) . .
H7W1 O7W H7W2 110.0(17) . .
H8W1 O8W H8W2 109.8(18) . .
H9W1 O9W H9W2 110.8(17) . .
C9 O10 H10O 113(4) . .
HAW O10W HBW 109.1(17) . .
C14 O11 H11O 111(4) . .
C15 O13 Eu1 122.0(2) . .
C15 O14 Eu1 118.7(2) . 2_666
C6 C1 C2 119.7(3) . .
C6 C1 S1 120.0(3) . .
C2 C1 S1 120.2(3) . .
O4 C2 C3 122.5(3) . .
O4 C2 C1 118.5(3) . .
C3 C2 C1 119.0(3) . .
C2 C3 C4 120.4(3) . .
C2 C3 H3A 119.8 . .
C4 C3 H3A 119.8 . .
C5 C4 C3 120.5(4) . .
C5 C4 C7 118.8(4) . .
C3 C4 C7 120.7(3) . .
C6 C5 C4 119.5(4) . .
C6 C5 H5A 120.3 . .
C4 C5 H5A 120.3 . .
C5 C6 C1 120.9(4) . .
C5 C6 H6A 119.6 . .
C1 C6 H6A 119.6 . .
O6 C7 O5 124.0(4) . .
O6 C7 C4 122.3(4) . .
O5 C7 C4 113.7(3) . .
C13 C8 C9 119.3(4) . .
C13 C8 S2 120.0(3) . .
C9 C8 S2 120.7(3) . .
O10 C9 C10 122.3(4) . .
O10 C9 C8 118.3(3) . .
C10 C9 C8 119.4(4) . .
C11 C10 C9 120.2(4) . .
C11 C10 H10A 119.9 . .
C9 C10 H10A 119.9 . .
C10 C11 C12 120.9(4) . .
C10 C11 C14 120.6(4) . .
C12 C11 C14 118.5(4) . .
C13 C12 C11 118.6(4) . .
C13 C12 H12A 120.7 . .
C11 C12 H12A 120.7 . .
C12 C13 C8 121.6(4) . .
C12 C13 H13A 119.2 . .
C8 C13 H13A 119.2 . .
O12 C14 O11 124.1(4) . .
O12 C14 C11 122.3(4) . .
O11 C14 C11 113.6(4) . .
O14 C15 O13 126.6(3) . .
O14 C15 C15 117.4(4) . 2_666
O13 C15 C15 116.0(4) . 2_666
O14 C15 Eu1 165.5(2) . .
C15 C15 Eu1 77.1(3) 2_666 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O6W 2.380(3) .
Eu1 O13 2.406(2) .
Eu1 O3W 2.423(3) .
Eu1 O1 2.436(2) .
Eu1 O5W 2.450(3) .
Eu1 O2W 2.486(3) .
Eu1 O14 2.492(2) 2_666
Eu1 O4W 2.500(3) .
Eu1 O1W 2.532(3) .
Eu1 C15 3.254(4) .
S1 O2 1.445(3) .
S1 O1 1.457(3) .
S1 O3 1.457(3) .
S1 C1 1.776(4) .
S2 O8 1.442(3) .
S2 O9 1.452(3) .
S2 O7 1.457(3) .
S2 C8 1.773(4) .
O1W H1W1 0.85(4) .
O1W H1W2 0.85(4) .
O2W H2W1 0.85(4) .
O2W H2W2 0.85(4) .
O3W H3W1 0.85(4) .
O3W H3W2 0.85(4) .
O4 C2 1.358(4) .
O4 H4O 0.85(4) .
O4W H4W1 0.85(4) .
O4W H4W2 0.85(4) .
O5 C7 1.314(5) .
O5 H5O 0.85(4) .
O5W H5W1 0.85(4) .
O5W H5W2 0.85(4) .
O6 C7 1.220(5) .
O6W H6W1 0.85(4) .
O6W H6W2 0.85(4) .
O7W H7W1 0.85(4) .
O7W H7W2 0.85(4) .
O8W H8W1 0.85(4) .
O8W H8W2 0.85(4) .
O9W H9W1 0.85(4) .
O9W H9W2 0.85(4) .
O10 C9 1.356(5) .
O10 H10O 0.85(4) .
O10W HAW 0.85(4) .
O10W HBW 0.85(4) .
O11 C14 1.304(5) .
O11 H11O 0.85(4) .
O12 C14 1.211(5) .
O13 C15 1.261(4) .
O14 C15 1.245(4) .
O14 Eu1 2.492(2) 2_666
C1 C6 1.385(5) .
C1 C2 1.414(5) .
C2 C3 1.386(5) .
C3 C4 1.389(5) .
C3 H3A 0.9300 .
C4 C5 1.388(5) .
C4 C7 1.492(5) .
C5 C6 1.381(5) .
C5 H5A 0.9300 .
C6 H6A 0.9300 .
C8 C13 1.383(5) .
C8 C9 1.399(5) .
C9 C10 1.385(5) .
C10 C11 1.383(5) .
C10 H10A 0.9300 .
C11 C12 1.385(5) .
C11 C14 1.504(5) .
C12 C13 1.380(6) .
C12 H12A 0.9300 .
C13 H13A 0.9300 .
C15 C15 1.543(7) 2_666
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 H1W1 O7 0.85(4) 2.27(2) 3.019(4) 148(4) .
O1W H1W2 O4 0.85(4) 2.26(2) 3.002(4) 147(3) .
O2W H2W1 O6 0.85(4) 1.900(18) 2.724(4) 162(5) 2_777
O2W H2W2 O8W 0.85(4) 1.979(15) 2.818(5) 168(5) 2_776
O3W H3W1 O10W 0.85(4) 2.069(17) 2.889(4) 162(4) 1_544
O3W H3W2 O8W 0.85(4) 1.856(15) 2.690(4) 168(4) .
O4 H4O O9 0.85(4)) 1.870(12) 2.707(4) 172(5) .
O4W H4W1 O2 0.85(4) 2.078(11) 2.920(4) 173(3) 2_666
O4W H4W2 O8 0.85(4) 1.930(16) 2.743(4) 160(4) 2_676
O5 H5O O9W 0.85(4) 1.861(15) 2.693(4) 168(5) .
O5W H5W1 O7W 0.85(4) 1.894(12) 2.734(4) 171(4) 2_766
O5W H5W2 O12 0.85(4) 2.022(12) 2.862(4) 173(5) 1_544
O6W H6W1 O13 0.85(4) 1.937(19) 2.736(4) 157(4) 2_766
O6W H6W2 O9W 0.85(4) 1.961(15) 2.789(4) 167(4) 2_777
O7W H7W1 O8 0.85(4) 2.31(3) 3.089(5) 153(5) 1_545
O7W H7W1 O10 0.85(4) 2.34(4) 2.950(4) 129(4) 1_545
O7W H7W2 O14 0.85(4) 2.030(15) 2.866(4) 169(5) .
O8W H8W1 O8 0.85(4) 2.42(3) 3.025(5) 129(4) 2_676
O8W H8W2 O7W 0.85(4) 1.864(12) 2.715(5) 178(5) 1_565
O9W H9W1 O2 0.85(4) 2.234(19) 3.032(4) 157(4) 2_677
O9W H9W1 O4 0.85(4) 2.59(4) 3.053(4) 116(3) 2_677
O9W H9W2 O12 0.85(4) 2.30(3) 3.032(4) 145(3) .
O9W H9W2 O3 0.85(4) 2.53(3) 3.134(4) 129(3) 2_777
O10 H10O O3 0.85(4) 1.870(13) 2.711(4) 171(5) 1_565
O10W HAW O7 0.85(4) 1.931(16) 2.771(5) 168(5) 2_787
O10W HBW O6 0.85(4) 2.45(3) 3.162(4) 142(3) 1_565
O11 H11O O10W 0.85(4) 1.845(15) 2.680(4) 170(5) .
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
O2 S1 O1 Eu1 -42.1(4) . .
O3 S1 O1 Eu1 86.7(4) . .
C1 S1 O1 Eu1 -159.1(4) . .
O6W Eu1 O1 S1 -98.4(4) . .
O13 Eu1 O1 S1 -19.4(4) . .
O3W Eu1 O1 S1 163.5(3) . .
O5W Eu1 O1 S1 -78.3(4) . .
O2W Eu1 O1 S1 -173.6(4) . .
O14 Eu1 O1 S1 48.4(4) 2_666 .
O4W Eu1 O1 S1 37.3(4) . .
O1W Eu1 O1 S1 115.3(4) . .
C15 Eu1 O1 S1 -0.2(4) . .
O6W Eu1 O13 C15 152.0(3) . .
O3W Eu1 O13 C15 -106.0(3) . .
O1 Eu1 O13 C15 77.3(3) . .
O5W Eu1 O13 C15 -139.1(3) . .
O2W Eu1 O13 C15 120.1(3) . .
O14 Eu1 O13 C15 1.5(3) 2_666 .
O4W Eu1 O13 C15 -69.0(3) . .
O1W Eu1 O13 C15 15.2(3) . .
O2 S1 C1 C6 119.3(3) . .
O1 S1 C1 C6 -120.2(3) . .
O3 S1 C1 C6 -1.5(4) . .
O2 S1 C1 C2 -62.2(3) . .
O1 S1 C1 C2 58.3(3) . .
O3 S1 C1 C2 177.0(3) . .
C6 C1 C2 O4 179.2(3) . .
S1 C1 C2 O4 0.7(5) . .
C6 C1 C2 C3 -0.6(5) . .
S1 C1 C2 C3 -179.2(3) . .
O4 C2 C3 C4 179.7(3) . .
C1 C2 C3 C4 -0.4(5) . .
C2 C3 C4 C5 1.0(6) . .
C2 C3 C4 C7 179.5(3) . .
C3 C4 C5 C6 -0.4(6) . .
C7 C4 C5 C6 -178.9(3) . .
C4 C5 C6 C1 -0.7(6) . .
C2 C1 C6 C5 1.2(6) . .
S1 C1 C6 C5 179.7(3) . .
C5 C4 C7 O6 -3.7(6) . .
C3 C4 C7 O6 177.7(4) . .
C5 C4 C7 O5 177.5(3) . .
C3 C4 C7 O5 -1.0(5) . .
O8 S2 C8 C13 125.8(4) . .
O9 S2 C8 C13 5.1(4) . .
O7 S2 C8 C13 -114.6(4) . .
O8 S2 C8 C9 -54.2(4) . .
O9 S2 C8 C9 -175.0(3) . .
O7 S2 C8 C9 65.4(4) . .
C13 C8 C9 O10 -179.3(4) . .
S2 C8 C9 O10 0.7(5) . .
C13 C8 C9 C10 1.0(6) . .
S2 C8 C9 C10 -179.0(3) . .
O10 C9 C10 C11 -178.7(4) . .
C8 C9 C10 C11 1.1(6) . .
C9 C10 C11 C12 -2.7(7) . .
C9 C10 C11 C14 175.3(4) . .
C10 C11 C12 C13 2.2(6) . .
C14 C11 C12 C13 -175.8(4) . .
C11 C12 C13 C8 -0.1(7) . .
C9 C8 C13 C12 -1.5(6) . .
S2 C8 C13 C12 178.5(3) . .
C10 C11 C14 O12 -160.1(4) . .
C12 C11 C14 O12 17.9(6) . .
C10 C11 C14 O11 18.6(6) . .
C12 C11 C14 O11 -163.4(4) . .
Eu1 O14 C15 O13 178.5(3) 2_666 .
Eu1 O14 C15 C15 0.3(5) 2_666 2_666
Eu1 O14 C15 Eu1 179.5(9) 2_666 .
Eu1 O13 C15 O14 179.6(3) . .
Eu1 O13 C15 C15 -2.1(5) . 2_666
O6W Eu1 C15 O14 -28.5(10) . .
O13 Eu1 C15 O14 -1.3(9) . .
O3W Eu1 C15 O14 98.7(10) . .
O1 Eu1 C15 O14 -100.0(10) . .
O5W Eu1 C15 O14 38.5(10) . .
O2W Eu1 C15 O14 -88.1(10) . .
O14 Eu1 C15 O14 -179.4(10) 2_666 .
O4W Eu1 C15 O14 104.6(10) . .
O1W Eu1 C15 O14 -168.7(10) . .
O6W Eu1 C15 O13 -27.2(3) . .
O3W Eu1 C15 O13 100.0(3) . .
O1 Eu1 C15 O13 -98.7(3) . .
O5W Eu1 C15 O13 39.8(3) . .
O2W Eu1 C15 O13 -86.8(3) . .
O14 Eu1 C15 O13 -178.1(3) 2_666 .
O4W Eu1 C15 O13 105.8(3) . .
O1W Eu1 C15 O13 -167.4(3) . .
O6W Eu1 C15 C15 150.8(3) . 2_666
O13 Eu1 C15 C15 178.0(5) . 2_666
O3W Eu1 C15 C15 -82.0(3) . 2_666
O1 Eu1 C15 C15 79.3(3) . 2_666
O5W Eu1 C15 C15 -142.2(3) . 2_666
O2W Eu1 C15 C15 91.2(3) . 2_666
O14 Eu1 C15 C15 -0.1(2) 2_666 2_666
O4W Eu1 C15 C15 -76.1(3) . 2_666
O1W Eu1 C15 C15 10.6(3) . 2_666
