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#$Date: 2025-08-18 17:20:24 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301776 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/71/1517143.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_1517143
loop_
_publ_author_name
'Xue-Qin Song'
'Li Wang'
'Meng-Meng Zhao'
'Guo-Quang Cheng'
'Xiao-Run Wang'
'Yun-Qiao Peng'
_publ_section_title
;
 Synthesis, crystal structure and luminescence properties of homodinuclear
 lanthanide complexes with a new tetrapodal thenylsalicylamide ligand
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              156
_journal_page_last               164
_journal_volume                  402
_journal_year                    2013
_chemical_formula_sum            'C56 H60 Eu N7 O20 S4'
_chemical_formula_weight         1431.33
_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
_cell_angle_alpha                99.7690(10)
_cell_angle_beta                 103.054(2)
_cell_angle_gamma                115.193(2)
_cell_formula_units_Z            2
_cell_length_a                   13.0252(17)
_cell_length_b                   15.2017(18)
_cell_length_c                   18.3190(19)
_cell_measurement_reflns_used    3560
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.71
_cell_measurement_theta_min      2.19
_cell_volume                     3048.6(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0631
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            17340
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.20
_exptl_absorpt_coefficient_mu    1.246
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.207
_refine_diff_density_min         -0.810
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     796
_refine_ls_number_reflns         10691
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0535
_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)+(0.0961P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1477
_refine_ls_wR_factor_ref         0.1613
_reflns_number_gt                8777
_reflns_number_total             10691
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-402-156-164-1.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1517143
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 0.73975(2) 0.297020(19) 0.660440(16) 0.03852(12) Uani 1 1 d .
N1 N 0.5334(4) 0.1154(4) 0.4069(3) 0.0463(11) Uani 1 1 d .
H1 H 0.4708 0.0781 0.3657 0.056 Uiso 1 1 calc R
N2 N 0.7490(4) 0.5760(4) 0.6043(3) 0.0530(13) Uani 1 1 d .
H2 H 0.7229 0.6187 0.5994 0.064 Uiso 1 1 calc R
N3 N -0.0397(4) -0.0640(3) 0.1205(3) 0.0440(11) Uani 1 1 d .
H3 H 0.0330 -0.0149 0.1425 0.053 Uiso 1 1 calc R
N4 N 0.4827(5) 0.2580(4) 0.0383(3) 0.0563(14) Uani 1 1 d .
H4 H 0.4138 0.2042 0.0244 0.068 Uiso 1 1 calc R
N5 N 0.9328(5) 0.3095(5) 0.6004(4) 0.0623(15) Uani 1 1 d .
N6 N 0.7540(5) 0.1339(4) 0.7167(4) 0.0600(14) Uani 1 1 d .
N7 N 0.5770(6) 0.2534(5) 0.7511(4) 0.0710(17) Uani 1 1 d .
O1 O 0.3377(3) 0.1548(3) 0.3600(2) 0.0428(9) Uani 1 1 d .
O2 O 0.3971(3) 0.3678(3) 0.3284(2) 0.0411(9) Uani 1 1 d .
O3 O 0.1242(3) 0.1290(3) 0.1400(2) 0.0403(9) Uani 1 1 d .
O4 O 0.4166(3) 0.1599(3) 0.1557(2) 0.0396(8) Uani 1 1 d .
O5 O 0.6025(3) 0.2053(3) 0.5329(2) 0.0503(10) Uani 1 1 d .
O6 O 0.7105(4) 0.4250(3) 0.6211(3) 0.0515(10) Uani 1 1 d .
O7 O -0.2235(4) -0.1178(3) 0.0377(3) 0.0642(13) Uani 1 1 d .
O8 O 0.6805(4) 0.3295(4) 0.1011(3) 0.0839(16) Uani 1 1 d .
O9 O 0.8423(4) 0.2253(4) 0.5873(3) 0.0717(13) Uani 1 1 d .
O10 O 0.9304(5) 0.3844(4) 0.6379(4) 0.0811(16) Uani 1 1 d .
O11 O 1.0159(5) 0.3161(5) 0.5777(4) 0.102(2) Uani 1 1 d .
O12 O 0.8429(4) 0.2244(4) 0.7435(3) 0.0680(13) Uani 1 1 d .
O13 O 0.6654(4) 0.1185(3) 0.6620(3) 0.0686(13) Uani 1 1 d .
O14 O 0.7569(6) 0.0669(4) 0.7429(4) 0.0902(18) Uani 1 1 d .
O15 O 0.6865(6) 0.2843(6) 0.7811(4) 0.119(3) Uani 1 1 d .
O16 O 0.5444(4) 0.2532(4) 0.6840(3) 0.0756(14) Uani 1 1 d .
O17 O 0.5118(6) 0.2251(6) 0.7898(4) 0.119(3) Uani 1 1 d .
O18 O 0.8815(7) 0.4449(4) 0.7678(4) 0.126(3) Uani 1 1 d .
H18 H 0.9445 0.4423 0.7761 0.151 Uiso 1 1 d R
O19 O 0.8798(9) 0.5131(11) 0.1801(7) 0.234(7) Uani 1 1 d .
H19 H 0.8275 0.4531 0.1632 0.281 Uiso 1 1 calc R
O20 O 0.8082(13) 0.3674(12) 0.9665(9) 0.234(6) Uani 1 1 d .
H20 H 0.7555 0.3240 0.9262 0.281 Uiso 1 1 calc R
S1 S 0.7749(2) 0.35197(15) 0.44234(13) 0.0794(6) Uani 1 1 d .
S2 S 1.0077(2) 0.76434(17) 0.74426(13) 0.0761(5) Uani 1 1 d .
S3 S -0.26206(14) -0.17757(14) 0.19830(10) 0.0588(4) Uani 1 1 d .
S4 S 0.5474(3) 0.4793(2) 0.16040(16) 0.1121(9) Uani 1 1 d .
C1 C 0.2505(5) 0.1559(4) 0.2964(3) 0.0368(11) Uani 1 1 d .
H1A H 0.2178 0.1978 0.3162 0.044 Uiso 1 1 calc R
H1B H 0.1849 0.0874 0.2686 0.044 Uiso 1 1 calc R
C2 C 0.3168(4) 0.2000(4) 0.2421(3) 0.0347(11) Uani 1 1 d .
C3 C 0.4312(4) 0.3010(4) 0.2871(3) 0.0356(11) Uani 1 1 d .
H3A H 0.4879 0.2904 0.3241 0.043 Uiso 1 1 calc R
H3B H 0.4690 0.3306 0.2510 0.043 Uiso 1 1 calc R
C4 C 0.2374(4) 0.2203(4) 0.1793(3) 0.0361(11) Uani 1 1 d .
H4A H 0.2244 0.2747 0.2036 0.043 Uiso 1 1 calc R
H4B H 0.2771 0.2414 0.1416 0.043 Uiso 1 1 calc R
C5 C 0.3516(5) 0.1234(4) 0.2067(3) 0.0353(11) Uani 1 1 d .
H5A H 0.4010 0.1122 0.2483 0.042 Uiso 1 1 calc R
H5B H 0.2796 0.0588 0.1774 0.042 Uiso 1 1 calc R
C6 C 0.5163(5) 0.1466(4) 0.4716(3) 0.0380(12) Uani 1 1 d .
C7 C 0.3904(5) 0.1078(4) 0.4713(3) 0.0404(12) Uani 1 1 d .
C8 C 0.3009(5) 0.1087(4) 0.4130(3) 0.0395(12) Uani 1 1 d .
C9 C 0.1834(5) 0.0668(4) 0.4135(4) 0.0474(14) Uani 1 1 d .
H9 H 0.1236 0.0670 0.3747 0.057 Uiso 1 1 calc R
C10 C 0.1565(6) 0.0244(5) 0.4731(4) 0.0562(16) Uani 1 1 d .
H10 H 0.0776 -0.0056 0.4731 0.067 Uiso 1 1 calc R
C11 C 0.2448(6) 0.0264(5) 0.5314(4) 0.0556(16) Uani 1 1 d .
H11 H 0.2264 -0.0006 0.5716 0.067 Uiso 1 1 calc R
C12 C 0.3603(6) 0.0682(4) 0.5305(3) 0.0481(14) Uani 1 1 d .
H12 H 0.4201 0.0699 0.5706 0.058 Uiso 1 1 calc R
C13 C 0.6514(5) 0.1390(5) 0.3986(4) 0.0493(14) Uani 1 1 d .
H13A H 0.6416 0.0825 0.3587 0.059 Uiso 1 1 calc R
H13B H 0.7050 0.1452 0.4479 0.059 Uiso 1 1 calc R
C14 C 0.7086(5) 0.2349(5) 0.3769(4) 0.0482(14) Uani 1 1 d .
C15 C 0.7241(5) 0.2426(5) 0.3049(4) 0.0545(16) Uani 1 1 d .
H15 H 0.6938 0.1870 0.2606 0.065 Uiso 1 1 calc R
C16 C 0.7899(7) 0.3425(7) 0.3073(6) 0.079(2) Uani 1 1 d .
H16 H 0.8090 0.3614 0.2644 0.095 Uiso 1 1 calc R
C17 C 0.8233(7) 0.4088(6) 0.3756(6) 0.081(2) Uani 1 1 d .
H17 H 0.8685 0.4789 0.3862 0.098 Uiso 1 1 calc R
C18 C 0.6755(5) 0.4878(4) 0.6113(3) 0.0416(13) Uani 1 1 d .
C19 C 0.5494(5) 0.4632(4) 0.6039(3) 0.0410(12) Uani 1 1 d .
C20 C 0.5133(5) 0.5331(4) 0.6338(3) 0.0394(12) Uani 1 1 d .
C21 C 0.3950(5) 0.5004(4) 0.6267(3) 0.0451(13) Uani 1 1 d .
H21 H 0.3719 0.5466 0.6471 0.054 Uiso 1 1 calc R
C22 C 0.3091(5) 0.3985(5) 0.5892(4) 0.0556(16) Uani 1 1 d .
H22 H 0.2287 0.3765 0.5842 0.067 Uiso 1 1 calc R
C23 C 0.3439(5) 0.3311(5) 0.5598(4) 0.0556(16) Uani 1 1 d .
H23 H 0.2868 0.2630 0.5346 0.067 Uiso 1 1 calc R
C24 C 0.4618(5) 0.3627(4) 0.5669(4) 0.0503(15) Uani 1 1 d .
H24 H 0.4836 0.3156 0.5464 0.060 Uiso 1 1 calc R
C25 C 0.8714(5) 0.6058(5) 0.6044(5) 0.0604(17) Uani 1 1 d .
H25A H 0.8703 0.5900 0.5506 0.072 Uiso 1 1 calc R
H25B H 0.9008 0.5664 0.6304 0.072 Uiso 1 1 calc R
C26 C 0.9553(5) 0.7166(5) 0.6450(4) 0.0512(15) Uani 1 1 d .
C27 C 0.9973(5) 0.7934(4) 0.6078(4) 0.0503(15) Uani 1 1 d .
H27 H 0.9801 0.7837 0.5541 0.060 Uiso 1 1 calc R
C28 C 1.0726(6) 0.8904(5) 0.6701(5) 0.0678(19) Uani 1 1 d .
H28 H 1.1091 0.9522 0.6598 0.081 Uiso 1 1 calc R
C29 C 1.0848(6) 0.8835(6) 0.7419(5) 0.0682(19) Uani 1 1 d .
H29 H 1.1317 0.9393 0.7867 0.082 Uiso 1 1 calc R
C30 C -0.1176(5) -0.0502(4) 0.0692(3) 0.0415(13) Uani 1 1 d .
C31 C -0.0746(5) 0.0496(4) 0.0504(3) 0.0370(12) Uani 1 1 d .
C32 C 0.0392(5) 0.1347(4) 0.0848(3) 0.0364(11) Uani 1 1 d .
C33 C 0.0640(5) 0.2223(4) 0.0624(3) 0.0458(13) Uani 1 1 d .
H33 H 0.1406 0.2786 0.0847 0.055 Uiso 1 1 calc R
C34 C -0.0254(6) 0.2264(5) 0.0065(4) 0.0505(15) Uani 1 1 d .
H34 H -0.0082 0.2859 -0.0073 0.061 Uiso 1 1 calc R
C35 C -0.1380(6) 0.1437(5) -0.0280(4) 0.0517(15) Uani 1 1 d .
H35 H -0.1973 0.1464 -0.0655 0.062 Uiso 1 1 calc R
C36 C -0.1616(5) 0.0572(5) -0.0065(3) 0.0471(14) Uani 1 1 d .
H36 H -0.2380 0.0010 -0.0302 0.056 Uiso 1 1 calc R
C37 C -0.0718(5) -0.1576(4) 0.1410(4) 0.0468(14) Uani 1 1 d .
H37A H -0.0010 -0.1663 0.1546 0.056 Uiso 1 1 calc R
H37B H -0.1315 -0.2141 0.0951 0.056 Uiso 1 1 calc R
C38 C -0.1206(5) -0.1633(4) 0.2077(4) 0.0454(13) Uani 1 1 d .
C39 C -0.0683(6) -0.1649(5) 0.2803(4) 0.0553(16) Uani 1 1 d .
H39 H 0.0085 -0.1580 0.2972 0.066 Uiso 1 1 calc R
C40 C -0.1418(7) -0.1782(5) 0.3265(4) 0.0640(18) Uani 1 1 d .
H40 H -0.1191 -0.1819 0.3774 0.077 Uiso 1 1 calc R
C41 C -0.2480(6) -0.1853(5) 0.2914(4) 0.0631(18) Uani 1 1 d .
H41 H -0.3065 -0.1934 0.3148 0.076 Uiso 1 1 calc R
C42 C 0.5789(6) 0.2562(5) 0.0804(4) 0.0515(15) Uani 1 1 d .
C43 C 0.5614(5) 0.1608(4) 0.0985(3) 0.0446(13) Uani 1 1 d .
C44 C 0.4786(5) 0.1123(4) 0.1348(3) 0.0399(12) Uani 1 1 d .
C45 C 0.4632(5) 0.0211(4) 0.1490(3) 0.0463(13) Uani 1 1 d .
H45 H 0.4070 -0.0118 0.1721 0.056 Uiso 1 1 calc R
C46 C 0.5341(6) -0.0204(5) 0.1278(4) 0.0563(16) Uani 1 1 d .
H46 H 0.5247 -0.0816 0.1363 0.068 Uiso 1 1 calc R
C47 C 0.6181(6) 0.0302(6) 0.0942(4) 0.0648(19) Uani 1 1 d .
H47 H 0.6657 0.0032 0.0810 0.078 Uiso 1 1 calc R
C48 C 0.6316(6) 0.1181(5) 0.0805(4) 0.0564(16) Uani 1 1 d .
H48 H 0.6893 0.1511 0.0584 0.068 Uiso 1 1 calc R
C49 C 0.4869(7) 0.3458(5) 0.0145(4) 0.0664(19) Uani 1 1 d .
H49A H 0.4314 0.3220 -0.0387 0.080 Uiso 1 1 calc R
H49B H 0.5672 0.3877 0.0139 0.080 Uiso 1 1 calc R
C50 C 0.4552(7) 0.4107(5) 0.0677(4) 0.0663(19) Uani 1 1 d .
C51 C 0.3496(6) 0.4237(5) 0.0454(5) 0.066(2) Uani 1 1 d .
H51 H 0.2885 0.3950 -0.0030 0.079 Uiso 1 1 calc R
C52 C 0.3617(10) 0.4916(8) 0.1158(8) 0.107(3) Uani 1 1 d .
H52 H 0.3027 0.5104 0.1169 0.128 Uiso 1 1 calc R
C53 C 0.4544(11) 0.5258(7) 0.1769(7) 0.105(3) Uani 1 1 d .
H53 H 0.4690 0.5704 0.2242 0.126 Uiso 1 1 calc R
C54 C 0.9039(11) 0.5364(8) 0.8081(7) 0.141(5) Uani 1 1 d .
H54A H 0.9494 0.5521 0.8621 0.211 Uiso 1 1 calc R
H54B H 0.8292 0.5362 0.8050 0.211 Uiso 1 1 calc R
H54C H 0.9491 0.5868 0.7862 0.211 Uiso 1 1 calc R
C55 C 0.8433(14) 0.5689(13) 0.1393(12) 0.201(9) Uani 1 1 d .
H55A H 0.7921 0.5866 0.1616 0.302 Uiso 1 1 calc R
H55B H 0.7998 0.5291 0.0852 0.302 Uiso 1 1 calc R
H55C H 0.9126 0.6300 0.1428 0.302 Uiso 1 1 calc R
C56 C 0.8837(13) 0.4522(14) 0.9476(13) 0.220(10) Uani 1 1 d .
H56A H 0.9376 0.4372 0.9266 0.330 Uiso 1 1 calc R
H56B H 0.9294 0.5099 0.9941 0.330 Uiso 1 1 calc R
H56C H 0.8357 0.4675 0.9092 0.330 Uiso 1 1 calc 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'
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'
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
O6 Eu1 O5 79.29(15) . .
O6 Eu1 O18 77.66(19) . .
O5 Eu1 O18 156.3(2) . .
O6 Eu1 O10 82.31(17) . .
O5 Eu1 O10 102.87(18) . .
O18 Eu1 O10 68.5(3) . .
O6 Eu1 O13 151.59(16) . .
O5 Eu1 O13 77.61(16) . .
O18 Eu1 O13 126.1(2) . .
O10 Eu1 O13 118.87(18) . .
O6 Eu1 O15 108.6(2) . .
O5 Eu1 O15 123.96(19) . .
O18 Eu1 O15 69.6(3) . .
O10 Eu1 O15 132.9(2) . .
O13 Eu1 O15 72.0(2) . .
O6 Eu1 O12 156.32(16) . .
O5 Eu1 O12 123.31(15) . .
O18 Eu1 O12 79.04(19) . .
O10 Eu1 O12 85.30(18) . .
O13 Eu1 O12 51.26(16) . .
O15 Eu1 O12 66.5(2) . .
O6 Eu1 O16 82.48(17) . .
O5 Eu1 O16 78.94(16) . .
O18 Eu1 O16 103.4(3) . .
O10 Eu1 O16 164.05(19) . .
O13 Eu1 O16 77.07(18) . .
O15 Eu1 O16 49.2(2) . .
O12 Eu1 O16 107.15(18) . .
O6 Eu1 O9 115.68(17) . .
O5 Eu1 O9 73.84(15) . .
O18 Eu1 O9 111.6(2) . .
O10 Eu1 O9 50.23(18) . .
O13 Eu1 O9 73.08(18) . .
O15 Eu1 O9 135.0(2) . .
O12 Eu1 O9 69.63(18) . .
O16 Eu1 O9 143.05(18) . .
O6 Eu1 H18 89.2 . .
O5 Eu1 H18 158.4 . .
O18 Eu1 H18 17.0 . .
O10 Eu1 H18 57.2 . .
O13 Eu1 H18 117.8 . .
O15 Eu1 H18 76.9 . .
O12 Eu1 H18 67.1 . .
O16 Eu1 H18 117.8 . .
O9 Eu1 H18 95.4 . .
C6 N1 C13 125.2(5) . .
C6 N1 H1 117.4 . .
C13 N1 H1 117.4 . .
C18 N2 C25 124.6(5) . .
C18 N2 H2 117.7 . .
C25 N2 H2 117.7 . .
C30 N3 C37 123.0(5) . .
C30 N3 H3 118.5 . .
C37 N3 H3 118.5 . .
C42 N4 C49 123.8(5) . .
C42 N4 H4 118.1 . .
C49 N4 H4 118.1 . .
O11 N5 O10 123.3(7) . .
O11 N5 O9 121.8(7) . .
O10 N5 O9 114.8(6) . .
O14 N6 O13 122.1(6) . .
O14 N6 O12 121.2(6) . .
O13 N6 O12 116.7(5) . .
O16 N7 O17 125.3(7) . .
O16 N7 O15 115.6(7) . .
O17 N7 O15 119.1(8) . .
C8 O1 C1 119.4(4) . .
C20 O2 C3 116.1(4) 2_666 .
C32 O3 C4 117.3(4) . .
C44 O4 C5 116.6(4) . .
C6 O5 Eu1 168.8(4) . .
C18 O6 Eu1 163.7(4) . .
N5 O9 Eu1 95.4(4) . .
N5 O10 Eu1 99.5(4) . .
N6 O12 Eu1 94.8(4) . .
N6 O13 Eu1 97.0(3) . .
N7 O15 Eu1 97.4(5) . .
N7 O16 Eu1 97.1(4) . .
C54 O18 Eu1 144.0(7) . .
C54 O18 H18 109.5 . .
Eu1 O18 H18 104.7 . .
C55 O19 H19 109.5 . .
C56 O20 H20 109.5 . .
C14 S1 C17 91.6(4) . .
C29 S2 C26 92.5(4) . .
C41 S3 C38 91.9(3) . .
C50 S4 C53 92.0(5) . .
O1 C1 C2 106.4(4) . .
O1 C1 H1A 110.5 . .
C2 C1 H1A 110.5 . .
O1 C1 H1B 110.5 . .
C2 C1 H1B 110.5 . .
H1A C1 H1B 108.6 . .
C1 C2 C5 106.7(4) . .
C1 C2 C3 111.4(4) . .
C5 C2 C3 108.6(4) . .
C1 C2 C4 110.5(4) . .
C5 C2 C4 112.3(4) . .
C3 C2 C4 107.4(4) . .
O2 C3 C2 107.4(4) . .
O2 C3 H3A 110.2 . .
C2 C3 H3A 110.2 . .
O2 C3 H3B 110.2 . .
C2 C3 H3B 110.2 . .
H3A C3 H3B 108.5 . .
O3 C4 C2 109.2(4) . .
O3 C4 H4A 109.8 . .
C2 C4 H4A 109.8 . .
O3 C4 H4B 109.8 . .
C2 C4 H4B 109.8 . .
H4A C4 H4B 108.3 . .
O4 C5 C2 110.3(4) . .
O4 C5 H5A 109.6 . .
C2 C5 H5A 109.6 . .
O4 C5 H5B 109.6 . .
C2 C5 H5B 109.6 . .
H5A C5 H5B 108.1 . .
O5 C6 N1 121.5(5) . .
O5 C6 C7 120.3(5) . .
N1 C6 C7 118.1(5) . .
C12 C7 C8 118.7(5) . .
C12 C7 C6 118.6(5) . .
C8 C7 C6 122.7(5) . .
O1 C8 C9 123.9(5) . .
O1 C8 C7 115.9(5) . .
C9 C8 C7 120.2(5) . .
C8 C9 C10 119.0(6) . .
C8 C9 H9 120.5 . .
C10 C9 H9 120.5 . .
C11 C10 C9 120.8(6) . .
C11 C10 H10 119.6 . .
C9 C10 H10 119.6 . .
C12 C11 C10 119.7(6) . .
C12 C11 H11 120.2 . .
C10 C11 H11 120.2 . .
C11 C12 C7 121.6(6) . .
C11 C12 H12 119.2 . .
C7 C12 H12 119.2 . .
N1 C13 C14 113.7(5) . .
N1 C13 H13A 108.8 . .
C14 C13 H13A 108.8 . .
N1 C13 H13B 108.8 . .
C14 C13 H13B 108.8 . .
H13A C13 H13B 107.7 . .
C15 C14 C13 126.9(6) . .
C15 C14 S1 110.3(5) . .
C13 C14 S1 122.6(5) . .
C16 C15 C14 111.7(7) . .
C16 C15 H15 124.2 . .
C14 C15 H15 124.2 . .
C17 C16 C15 114.0(8) . .
C17 C16 H16 123.0 . .
C15 C16 H16 123.0 . .
C16 C17 S1 112.4(6) . .
C16 C17 H17 123.8 . .
S1 C17 H17 123.8 . .
O6 C18 N2 120.1(5) . .
O6 C18 C19 120.5(5) . .
N2 C18 C19 119.3(5) . .
C24 C19 C20 117.9(5) . .
C24 C19 C18 116.7(5) . .
C20 C19 C18 125.3(5) . .
C21 C20 O2 123.3(5) . 2_666
C21 C20 C19 120.2(5) . .
O2 C20 C19 116.5(5) 2_666 .
C20 C21 C22 120.4(6) . .
C20 C21 H21 119.8 . .
C22 C21 H21 119.8 . .
C23 C22 C21 119.4(6) . .
C23 C22 H22 120.3 . .
C21 C22 H22 120.3 . .
C24 C23 C22 120.7(5) . .
C24 C23 H23 119.7 . .
C22 C23 H23 119.7 . .
C23 C24 C19 121.4(6) . .
C23 C24 H24 119.3 . .
C19 C24 H24 119.3 . .
N2 C25 C26 112.4(5) . .
N2 C25 H25A 109.1 . .
C26 C25 H25A 109.1 . .
N2 C25 H25B 109.1 . .
C26 C25 H25B 109.1 . .
H25A C25 H25B 107.9 . .
C27 C26 C25 126.0(6) . .
C27 C26 S2 112.5(5) . .
C25 C26 S2 121.5(5) . .
C26 C27 C28 107.0(6) . .
C26 C27 H27 126.5 . .
C28 C27 H27 126.5 . .
C29 C28 C27 114.8(7) . .
C29 C28 H28 122.6 . .
C27 C28 H28 122.6 . .
C28 C29 S2 113.2(6) . .
C28 C29 H29 123.4 . .
S2 C29 H29 123.4 . .
O7 C30 N3 120.6(5) . .
O7 C30 C31 120.5(5) . .
N3 C30 C31 119.0(5) . .
C32 C31 C36 117.5(5) . .
C32 C31 C30 126.9(5) . .
C36 C31 C30 115.6(5) . .
O3 C32 C33 121.6(5) . .
O3 C32 C31 118.4(5) . .
C33 C32 C31 119.9(5) . .
C32 C33 C34 120.4(5) . .
C32 C33 H33 119.8 . .
C34 C33 H33 119.8 . .
C35 C34 C33 120.7(6) . .
C35 C34 H34 119.6 . .
C33 C34 H34 119.6 . .
C36 C35 C34 118.7(5) . .
C36 C35 H35 120.7 . .
C34 C35 H35 120.7 . .
C35 C36 C31 122.8(5) . .
C35 C36 H36 118.6 . .
C31 C36 H36 118.6 . .
N3 C37 C38 115.0(5) . .
N3 C37 H37A 108.5 . .
C38 C37 H37A 108.5 . .
N3 C37 H37B 108.5 . .
C38 C37 H37B 108.5 . .
H37A C37 H37B 107.5 . .
C39 C38 C37 127.4(6) . .
C39 C38 S3 110.1(5) . .
C37 C38 S3 122.3(4) . .
C38 C39 C40 112.8(6) . .
C38 C39 H39 123.6 . .
C40 C39 H39 123.6 . .
C41 C40 C39 114.1(6) . .
C41 C40 H40 123.0 . .
C39 C40 H40 123.0 . .
C40 C41 S3 111.1(5) . .
C40 C41 H41 124.4 . .
S3 C41 H41 124.4 . .
O8 C42 N4 121.8(6) . .
O8 C42 C43 120.3(6) . .
N4 C42 C43 117.9(5) . .
C48 C43 C44 118.2(6) . .
C48 C43 C42 118.9(6) . .
C44 C43 C42 122.8(5) . .
O4 C44 C45 122.9(5) . .
O4 C44 C43 116.4(5) . .
C45 C44 C43 120.7(5) . .
C44 C45 C46 118.8(6) . .
C44 C45 H45 120.6 . .
C46 C45 H45 120.6 . .
C47 C46 C45 119.7(6) . .
C47 C46 H46 120.1 . .
C45 C46 H46 120.1 . .
C48 C47 C46 120.9(6) . .
C48 C47 H47 119.6 . .
C46 C47 H47 119.6 . .
C47 C48 C43 121.6(6) . .
C47 C48 H48 119.2 . .
C43 C48 H48 119.2 . .
N4 C49 C50 113.4(6) . .
N4 C49 H49A 108.9 . .
C50 C49 H49A 108.9 . .
N4 C49 H49B 108.9 . .
C50 C49 H49B 108.9 . .
H49A C49 H49B 107.7 . .
C51 C50 C49 125.5(7) . .
C51 C50 S4 113.6(6) . .
C49 C50 S4 120.8(6) . .
C52 C51 C50 103.7(7) . .
C52 C51 H51 128.2 . .
C50 C51 H51 128.2 . .
C53 C52 C51 119.4(10) . .
C53 C52 H52 120.3 . .
C51 C52 H52 120.3 . .
C52 C53 S4 111.3(9) . .
C52 C53 H53 124.4 . .
S4 C53 H53 124.4 . .
O18 C54 H54A 109.5 . .
O18 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
O18 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
O19 C55 H55A 109.5 . .
O19 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
O19 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
O20 C56 H56A 109.5 . .
O20 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
O20 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O6 2.331(4) .
Eu1 O5 2.342(4) .
Eu1 O18 2.379(5) .
Eu1 O10 2.437(5) .
Eu1 O13 2.471(4) .
Eu1 O15 2.475(7) .
Eu1 O12 2.500(4) .
Eu1 O16 2.501(5) .
Eu1 O9 2.514(5) .
Eu1 H18 2.7065 .
N1 C6 1.303(7) .
N1 C13 1.471(7) .
N1 H1 0.8600 .
N2 C18 1.323(7) .
N2 C25 1.460(7) .
N2 H2 0.8600 .
N3 C30 1.333(7) .
N3 C37 1.445(7) .
N3 H3 0.8600 .
N4 C42 1.329(8) .
N4 C49 1.456(8) .
N4 H4 0.8600 .
N5 O11 1.217(8) .
N5 O10 1.243(8) .
N5 O9 1.252(7) .
N6 O14 1.208(7) .
N6 O13 1.249(7) .
N6 O12 1.277(7) .
N7 O16 1.206(8) .
N7 O17 1.214(8) .
N7 O15 1.243(8) .
O1 C8 1.348(6) .
O1 C1 1.439(6) .
O2 C20 1.377(6) 2_666
O2 C3 1.442(6) .
O3 C32 1.364(6) .
O3 C4 1.434(6) .
O4 C44 1.367(6) .
O4 C5 1.424(6) .
O5 C6 1.247(6) .
O6 C18 1.243(7) .
O7 C30 1.234(7) .
O8 C42 1.229(7) .
O18 C54 1.331(11) .
O18 H18 0.8200 .
O19 C55 1.379(16) .
O19 H19 0.8200 .
O20 C56 1.406(18) .
O20 H20 0.8200 .
S1 C14 1.688(6) .
S1 C17 1.698(9) .
S2 C29 1.670(8) .
S2 C26 1.694(7) .
S3 C41 1.704(7) .
S3 C38 1.724(6) .
S4 C50 1.680(8) .
S4 C53 1.696(11) .
C1 C2 1.518(7) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C5 1.519(7) .
C2 C3 1.525(7) .
C2 C4 1.531(7) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C7 1.487(7) .
C7 C12 1.379(8) .
C7 C8 1.399(8) .
C8 C9 1.388(8) .
C9 C10 1.397(9) .
C9 H9 0.9300 .
C10 C11 1.368(9) .
C10 H10 0.9300 .
C11 C12 1.368(9) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.499(9) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.397(9) .
C15 C16 1.377(11) .
C15 H15 0.9300 .
C16 C17 1.311(12) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.487(8) .
C19 C24 1.382(7) .
C19 C20 1.412(8) .
C20 C21 1.369(8) .
C20 O2 1.377(6) 2_666
C21 C22 1.393(8) .
C21 H21 0.9300 .
C22 C23 1.366(9) .
C22 H22 0.9300 .
C23 C24 1.366(8) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C26 1.491(8) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.422(9) .
C27 C28 1.459(9) .
C27 H27 0.9300 .
C28 C29 1.316(10) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 C31 1.508(8) .
C31 C32 1.392(7) .
C31 C36 1.414(8) .
C32 C33 1.388(8) .
C33 C34 1.397(8) .
C33 H33 0.9300 .
C34 C35 1.368(8) .
C34 H34 0.9300 .
C35 C36 1.367(9) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 C38 1.497(8) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 C39 1.361(9) .
C39 C40 1.391(9) .
C39 H39 0.9300 .
C40 C41 1.337(10) .
C40 H40 0.9300 .
C41 H41 0.9300 .
C42 C43 1.476(9) .
C43 C48 1.391(8) .
C43 C44 1.402(8) .
C44 C45 1.393(8) .
C45 C46 1.407(8) .
C45 H45 0.9300 .
C46 C47 1.383(10) .
C46 H46 0.9300 .
C47 C48 1.347(10) .
C47 H47 0.9300 .
C48 H48 0.9300 .
C49 C50 1.516(11) .
C49 H49A 0.9700 .
C49 H49B 0.9700 .
C50 C51 1.450(10) .
C51 C52 1.439(13) .
C51 H51 0.9300 .
C52 C53 1.280(13) .
C52 H52 0.9300 .
C53 H53 0.9300 .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
C55 H55A 0.9600 .
C55 H55B 0.9600 .
C55 H55C 0.9600 .
C56 H56A 0.9600 .
C56 H56B 0.9600 .
C56 H56C 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_4
O6 Eu1 O5 C6 -118(2) . .
O18 Eu1 O5 C6 -132(2) . .
O10 Eu1 O5 C6 162(2) . .
O13 Eu1 O5 C6 45(2) . .
O15 Eu1 O5 C6 -13(2) . .
O12 Eu1 O5 C6 69(2) . .
O16 Eu1 O5 C6 -34(2) . .
O9 Eu1 O5 C6 121(2) . .
O5 Eu1 O6 C18 99.8(14) . .
O18 Eu1 O6 C18 -85.8(14) . .
O10 Eu1 O6 C18 -155.4(14) . .
O13 Eu1 O6 C18 63.8(15) . .
O15 Eu1 O6 C18 -22.6(14) . .
O12 Eu1 O6 C18 -96.3(14) . .
O16 Eu1 O6 C18 19.7(14) . .
O9 Eu1 O6 C18 165.9(14) . .
O11 N5 O9 Eu1 178.0(6) . .
O10 N5 O9 Eu1 -2.1(6) . .
O6 Eu1 O9 N5 54.9(4) . .
O5 Eu1 O9 N5 124.1(4) . .
O18 Eu1 O9 N5 -31.4(5) . .
O10 Eu1 O9 N5 1.3(4) . .
O13 Eu1 O9 N5 -154.2(4) . .
O15 Eu1 O9 N5 -113.7(4) . .
O12 Eu1 O9 N5 -100.0(4) . .
O16 Eu1 O9 N5 168.3(4) . .
O11 N5 O10 Eu1 -177.9(6) . .
O9 N5 O10 Eu1 2.2(6) . .
O6 Eu1 O10 N5 -134.2(5) . .
O5 Eu1 O10 N5 -57.1(5) . .
O18 Eu1 O10 N5 146.1(5) . .
O13 Eu1 O10 N5 25.7(5) . .
O15 Eu1 O10 N5 117.5(5) . .
O12 Eu1 O10 N5 66.0(4) . .
O16 Eu1 O10 N5 -151.9(6) . .
O9 Eu1 O10 N5 -1.3(4) . .
O14 N6 O12 Eu1 -175.9(6) . .
O13 N6 O12 Eu1 4.7(6) . .
O6 Eu1 O12 N6 165.3(4) . .
O5 Eu1 O12 N6 -33.8(4) . .
O18 Eu1 O12 N6 154.8(4) . .
O10 Eu1 O12 N6 -136.1(4) . .
O13 Eu1 O12 N6 -2.7(3) . .
O15 Eu1 O12 N6 82.5(4) . .
O16 Eu1 O12 N6 54.0(4) . .
O9 Eu1 O12 N6 -87.0(4) . .
O14 N6 O13 Eu1 175.8(6) . .
O12 N6 O13 Eu1 -4.8(6) . .
O6 Eu1 O13 N6 -167.1(4) . .
O5 Eu1 O13 N6 156.6(4) . .
O18 Eu1 O13 N6 -24.8(5) . .
O10 Eu1 O13 N6 58.6(4) . .
O15 Eu1 O13 N6 -71.1(4) . .
O12 Eu1 O13 N6 2.8(4) . .
O16 Eu1 O13 N6 -122.1(4) . .
O9 Eu1 O13 N6 80.0(4) . .
O16 N7 O15 Eu1 -7.8(8) . .
O17 N7 O15 Eu1 171.3(7) . .
O6 Eu1 O15 N7 66.3(6) . .
O5 Eu1 O15 N7 -23.1(7) . .
O18 Eu1 O15 N7 134.9(6) . .
O10 Eu1 O15 N7 163.2(4) . .
O13 Eu1 O15 N7 -83.7(5) . .
O12 Eu1 O15 N7 -138.5(6) . .
O16 Eu1 O15 N7 4.5(5) . .
O9 Eu1 O15 N7 -124.6(5) . .
O17 N7 O16 Eu1 -171.3(8) . .
O15 N7 O16 Eu1 7.7(8) . .
O6 Eu1 O16 N7 -127.1(5) . .
O5 Eu1 O16 N7 152.4(5) . .
O18 Eu1 O16 N7 -51.8(5) . .
O10 Eu1 O16 N7 -109.5(8) . .
O13 Eu1 O16 N7 72.7(5) . .
O15 Eu1 O16 N7 -4.6(5) . .
O12 Eu1 O16 N7 30.7(5) . .
O9 Eu1 O16 N7 109.4(5) . .
O6 Eu1 O18 C54 29.7(14) . .
O5 Eu1 O18 C54 43.6(18) . .
O10 Eu1 O18 C54 116.2(15) . .
O13 Eu1 O18 C54 -133.0(14) . .
O15 Eu1 O18 C54 -85.7(15) . .
O12 Eu1 O18 C54 -154.6(15) . .
O16 Eu1 O18 C54 -49.4(15) . .
O9 Eu1 O18 C54 142.7(14) . .
C8 O1 C1 C2 -172.5(4) . .
O1 C1 C2 C5 66.7(5) . .
O1 C1 C2 C3 -51.7(5) . .
O1 C1 C2 C4 -171.0(4) . .
C20 O2 C3 C2 -173.4(4) 2_666 .
C1 C2 C3 O2 -55.4(5) . .
C5 C2 C3 O2 -172.6(4) . .
C4 C2 C3 O2 65.7(5) . .
C32 O3 C4 C2 176.4(4) . .
C1 C2 C4 O3 -53.3(5) . .
C5 C2 C4 O3 65.6(5) . .
C3 C2 C4 O3 -175.0(4) . .
C44 O4 C5 C2 164.5(4) . .
C1 C2 C5 O4 -178.9(4) . .
C3 C2 C5 O4 -58.8(5) . .
C4 C2 C5 O4 59.9(5) . .
Eu1 O5 C6 N1 -143.8(17) . .
Eu1 O5 C6 C7 34(2) . .
C13 N1 C6 O5 3.8(9) . .
C13 N1 C6 C7 -174.5(5) . .
O5 C6 C7 C12 -48.2(8) . .
N1 C6 C7 C12 130.0(6) . .
O5 C6 C7 C8 132.7(6) . .
N1 C6 C7 C8 -49.0(7) . .
C1 O1 C8 C9 -4.5(8) . .
C1 O1 C8 C7 177.8(4) . .
C12 C7 C8 O1 175.5(5) . .
C6 C7 C8 O1 -5.4(8) . .
C12 C7 C8 C9 -2.3(8) . .
C6 C7 C8 C9 176.8(5) . .
O1 C8 C9 C10 -177.5(5) . .
C7 C8 C9 C10 0.2(8) . .
C8 C9 C10 C11 1.8(9) . .
C9 C10 C11 C12 -1.6(10) . .
C10 C11 C12 C7 -0.7(10) . .
C8 C7 C12 C11 2.6(9) . .
C6 C7 C12 C11 -176.5(6) . .
C6 N1 C13 C14 -89.5(7) . .
N1 C13 C14 C15 -109.3(7) . .
N1 C13 C14 S1 76.0(6) . .
C17 S1 C14 C15 -0.8(5) . .
C17 S1 C14 C13 174.7(5) . .
C13 C14 C15 C16 -174.5(6) . .
S1 C14 C15 C16 0.8(7) . .
C14 C15 C16 C17 -0.3(10) . .
C15 C16 C17 S1 -0.3(10) . .
C14 S1 C17 C16 0.6(7) . .
Eu1 O6 C18 N2 146.8(11) . .
Eu1 O6 C18 C19 -35.8(17) . .
C25 N2 C18 O6 2.3(10) . .
C25 N2 C18 C19 -175.1(6) . .
O6 C18 C19 C24 -34.1(8) . .
N2 C18 C19 C24 143.3(6) . .
O6 C18 C19 C20 143.7(6) . .
N2 C18 C19 C20 -39.0(9) . .
C24 C19 C20 C21 0.9(8) . .
C18 C19 C20 C21 -176.8(6) . .
C24 C19 C20 O2 178.9(5) . 2_666
C18 C19 C20 O2 1.2(8) . 2_666
O2 C20 C21 C22 -178.6(5) 2_666 .
C19 C20 C21 C22 -0.8(9) . .
C20 C21 C22 C23 0.3(10) . .
C21 C22 C23 C24 0.1(11) . .
C22 C23 C24 C19 0.0(11) . .
C20 C19 C24 C23 -0.5(9) . .
C18 C19 C24 C23 177.4(6) . .
C18 N2 C25 C26 -143.7(6) . .
N2 C25 C26 C27 -102.5(7) . .
N2 C25 C26 S2 75.4(7) . .
C29 S2 C26 C27 -0.1(5) . .
C29 S2 C26 C25 -178.3(5) . .
C25 C26 C27 C28 177.5(6) . .
S2 C26 C27 C28 -0.6(7) . .
C26 C27 C28 C29 1.3(9) . .
C27 C28 C29 S2 -1.4(9) . .
C26 S2 C29 C28 0.8(6) . .
C37 N3 C30 O7 1.8(8) . .
C37 N3 C30 C31 -178.6(5) . .
O7 C30 C31 C32 175.4(5) . .
N3 C30 C31 C32 -4.2(8) . .
O7 C30 C31 C36 -2.3(8) . .
N3 C30 C31 C36 178.1(5) . .
C4 O3 C32 C33 5.5(7) . .
C4 O3 C32 C31 -174.9(5) . .
C36 C31 C32 O3 179.7(5) . .
C30 C31 C32 O3 2.1(8) . .
C36 C31 C32 C33 -0.6(8) . .
C30 C31 C32 C33 -178.3(5) . .
O3 C32 C33 C34 -179.1(5) . .
C31 C32 C33 C34 1.3(8) . .
C32 C33 C34 C35 -1.2(9) . .
C33 C34 C35 C36 0.4(9) . .
C34 C35 C36 C31 0.3(9) . .
C32 C31 C36 C35 -0.2(8) . .
C30 C31 C36 C35 177.7(5) . .
C30 N3 C37 C38 -88.3(7) . .
N3 C37 C38 C39 -112.7(7) . .
N3 C37 C38 S3 71.9(6) . .
C41 S3 C38 C39 0.1(5) . .
C41 S3 C38 C37 176.2(5) . .
C37 C38 C39 C40 -175.4(6) . .
S3 C38 C39 C40 0.4(7) . .
C38 C39 C40 C41 -0.9(9) . .
C39 C40 C41 S3 0.9(8) . .
C38 S3 C41 C40 -0.6(6) . .
C49 N4 C42 O8 -1.4(10) . .
C49 N4 C42 C43 -178.4(6) . .
O8 C42 C43 C48 -49.7(9) . .
N4 C42 C43 C48 127.3(6) . .
O8 C42 C43 C44 128.8(7) . .
N4 C42 C43 C44 -54.2(8) . .
C5 O4 C44 C45 11.9(7) . .
C5 O4 C44 C43 -167.4(4) . .
C48 C43 C44 O4 176.3(5) . .
C42 C43 C44 O4 -2.2(8) . .
C48 C43 C44 C45 -3.1(8) . .
C42 C43 C44 C45 178.4(5) . .
O4 C44 C45 C46 -177.9(5) . .
C43 C44 C45 C46 1.4(8) . .
C44 C45 C46 C47 0.6(9) . .
C45 C46 C47 C48 -1.0(10) . .
C46 C47 C48 C43 -0.8(11) . .
C44 C43 C48 C47 2.8(9) . .
C42 C43 C48 C47 -178.7(6) . .
C42 N4 C49 C50 -97.8(8) . .
N4 C49 C50 C51 -113.6(7) . .
N4 C49 C50 S4 68.7(7) . .
C53 S4 C50 C51 1.6(6) . .
C53 S4 C50 C49 179.5(6) . .
C49 C50 C51 C52 -179.9(7) . .
S4 C50 C51 C52 -2.0(7) . .
C50 C51 C52 C53 1.8(12) . .
C51 C52 C53 S4 -0.7(13) . .
C50 S4 C53 C52 -0.5(9) . .
loop_
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1 PubChem 139043893
