# Supplementary Material (ESI) for New Journal of Chemistry # This journal is © The Royal Society of Chemistry and # The Centre National de la Recherche Scientifique, 2005 data_global _journal_name_full 'New J.Chem.(Nouv.J.Chim.)' _journal_coden_Cambridge 0440 _publ_contact_author_name 'Colin L. Raston' _publ_contact_author_address ; School of Biomedical and Chemical Sciences University of Western Australia Crawley Perth WA 6909 Australia ; _publ_contact_author_phone '+61 89380 3045' _publ_contact_author_fax '+61 89380 1005' _publ_contact_author_email clraston@chem.uwa.edu.au # 2. TITLE AND AUTHOR LIST _publ_section_title ; A complex 3-D 'wavy brick wall' coordination polymer based on p-sulfonato-calix[8]arene ; loop_ _publ_author_name _publ_author_address 'Scott J. Dalgarno' ; Department of Chemistry University of Leeds Leeds LS2 9JT UK ; 'Michaele J. Hardie' ; Department of Chemistry University of Leeds Leeds LS2 9JT UK ; 'Jerry L. Atwood' ; Department of Chemistry University of Missouri-Columbia Columbia Missouri 65211 USA ; 'John E. Warren' ; CCLRC Daresbury Laboratory Daresbury Warrington WA4 4AD UK ; 'Colin L. Raston' ; School of Biomedical and Chemical Sciences University of Western Australia Crawley Perth WA 6909 Australia ; #================================================================= data_Eu[8]dipyno _database_code_depnum_ccdc_archive 'CCDC 233057' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ; ((Eu(H2O)7)0.33(Eu(H2O)4)2(Eu(H2O)6)(4,4-dipyridine-N,N- dioxide)4.5 (p-sulfonatocalix(8)arene-2H)).1.5(4,4-dipyridine-N,N- dioxide).8(H2O) ; _chemical_melting_point ? _chemical_formula_moiety 'C113.50 H134 Eu3.33 N11.50 O68.50 S8' _chemical_formula_sum 'C113.50 H134 Eu3.33 N11.50 O68.50 S8' _chemical_formula_weight 3518.28 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' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 16.9935(8) _cell_length_b 22.1127(11) _cell_length_c 23.0089(11) _cell_angle_alpha 69.1170(10) _cell_angle_beta 69.4220(10) _cell_angle_gamma 71.4190(10) _cell_volume 7375.6(6) _cell_formula_units_Z 2 _cell_measurement_temperature 123(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description 'Near cubic shaped prisms' _exptl_crystal_colour Yellow _exptl_crystal_size_max 0.06 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.584 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3563 _exptl_absorpt_coefficient_mu 1.611 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.9095 _exptl_absorpt_correction_T_max 0.9095 _exptl_absorpt_process_details ? _exptl_special_details ; Data were corrected for decay and absorption using the program SADABS based on the method of R.H. Blessing (Acta Cryst. A51, 33-38, 1995). ; _diffrn_ambient_temperature 123(2) _diffrn_radiation_wavelength 0.69030 _diffrn_radiation_type Synchrotron _diffrn_radiation_source ? _diffrn_radiation_monochromator ? _diffrn_measurement_device_type 'Bruker SMART 1000 CCD diffractometer' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 50036 _diffrn_reflns_av_R_equivalents 0.0281 _diffrn_reflns_av_sigmaI/netI 0.0583 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_k_min -29 _diffrn_reflns_limit_k_max 29 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_theta_min 1.79 _diffrn_reflns_theta_max 27.50 _reflns_number_total 35978 _reflns_number_gt 26702 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART (Bruker, 1998)' _computing_cell_refinement 'SAINT (Bruker, 1998)' _computing_data_reduction 'SAINT (Bruker, 1998)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ; XSeed (Barbour, 2001) ; _computing_publication_material 'local program' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. Some water molecules were refined at 50% occupancy, and some with isotropic refinement. The maximum and mean shifts are associated with disordered atoms within the structure. The discrepancy in the reported and calculate molecular formulae are due to the presence of the disordered 4,4'-dipyridine-N,N'-dioxide in a position that is consistent with the positions of disordered Europium aquo ligands. The reported formula was therefore corrected for the presence of the aquo ligands in addition to the hydrogen atoms of the numerous waters of crystallisation. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1239P)^2^+24.3775P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 35978 _refine_ls_number_parameters 1946 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0942 _refine_ls_R_factor_gt 0.0699 _refine_ls_wR_factor_ref 0.2147 _refine_ls_wR_factor_gt 0.1932 _refine_ls_goodness_of_fit_ref 1.029 _refine_ls_restrained_S_all 1.029 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 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 0.605425(18) 0.176690(13) 0.121875(14) 0.02879(7) Uani 1 1 d . . . S1 S 0.26651(15) 0.47244(9) -0.27198(8) 0.0533(5) Uani 1 1 d . . . O1 O 0.3004(5) 0.4246(3) -0.3092(3) 0.0686(18) Uani 1 1 d . . . N1 N 0.4926(3) 0.0329(2) 0.3410(2) 0.0290(9) Uani 1 1 d . . . C1 C 0.2018(4) 0.3424(3) -0.0982(3) 0.0292(11) Uani 1 1 d . . . Eu2 Eu 0.32643(3) 0.40567(2) -0.40942(2) 0.04499(12) Uani 0.75 1 d P . 1 S2 S 0.13947(12) 0.65020(9) -0.00474(10) 0.0506(4) Uani 1 1 d . . . O2 O 0.1805(5) 0.5101(3) -0.2771(3) 0.077(2) Uani 1 1 d . . . N2 N 0.5497(4) 0.3398(3) 0.1020(3) 0.0376(11) Uani 1 1 d . . . C2 C 0.2101(4) 0.3790(3) -0.1630(3) 0.0347(13) Uani 1 1 d . . . H2 H 0.1816 0.3713 -0.1877 0.042 Uiso 1 1 calc R . . Eu3 Eu 0.26666(11) 0.36389(8) -0.37429(8) 0.0551(4) Uani 0.25 1 d P . 2 S3 S 0.40977(18) 0.52534(11) 0.18610(11) 0.0664(7) Uani 1 1 d . . . O3 O 0.3244(7) 0.5151(4) -0.2887(3) 0.107(3) Uani 1 1 d . . . N3 N 0.4956(3) 0.2536(2) 0.0054(2) 0.0293(9) Uani 1 1 d . . . C3 C 0.2594(5) 0.4264(3) -0.1911(3) 0.0388(14) Uani 1 1 d . . . Eu4 Eu -0.10010(2) 0.273950(14) -0.726837(13) 0.03353(8) Uani 1 1 d . . . S4 S 0.41317(11) 0.26009(8) 0.52105(8) 0.0400(3) Uani 1 1 d . . . O4 O 0.2410(2) 0.31854(18) -0.00118(18) 0.0283(8) Uani 1 1 d . . . H117 H 0.2675 0.3325 0.0143 0.034 Uiso 1 1 calc R . . N4 N 0.4223(3) 0.3073(3) -0.2930(2) 0.0351(11) Uani 1 1 d . . . C4 C 0.2976(4) 0.4412(3) -0.1550(3) 0.0355(13) Uani 1 1 d . . . H4 H 0.3287 0.4755 -0.1744 0.043 Uiso 1 1 calc R . . Eu5 Eu 0.10767(7) -0.27951(5) 0.20773(4) 0.0374(2) Uani 0.33 1 d P . . S5 S 0.28480(12) -0.07833(9) 0.64740(7) 0.0431(4) Uani 1 1 d . . . O5 O 0.1501(5) 0.6669(3) -0.0726(3) 0.081(2) Uani 1 1 d . . . N5 N 0.2439(7) 0.4361(5) -0.5319(5) 0.064(2) Uiso 0.75 1 d P . 1 C5 C 0.2904(4) 0.4057(3) -0.0904(3) 0.0307(11) Uani 1 1 d . . . S6 S 0.10187(14) -0.19251(12) 0.45472(10) 0.0580(5) Uani 1 1 d . . . O6 O 0.1992(4) 0.6773(3) 0.0084(3) 0.0629(15) Uani 1 1 d . . . N6 N 0.0132(9) 0.3096(7) -0.6418(6) 0.087(3) Uiso 0.75 1 d P . 1 C6 C 0.2454(3) 0.3543(3) -0.0626(3) 0.0268(10) Uani 1 1 d . . . S7 S 0.25164(10) -0.16217(7) 0.12962(7) 0.0338(3) Uani 1 1 d . . . O7 O 0.0554(4) 0.6693(3) 0.0345(4) 0.0755(19) Uani 1 1 d . . . N7 N -0.0068(3) 0.1212(2) -0.6468(2) 0.0288(9) Uani 1 1 d . . . C7 C 0.3289(4) 0.4233(3) -0.0510(3) 0.0349(12) Uani 1 1 d . . . H7A H 0.3695 0.4520 -0.0804 0.042 Uiso 1 1 calc R . . H7B H 0.3623 0.3822 -0.0273 0.042 Uiso 1 1 calc R . . S8 S 0.26155(13) 0.10691(8) -0.18746(9) 0.0440(4) Uani 1 1 d . . . O8 O 0.2649(3) 0.3603(2) 0.0848(2) 0.0400(10) Uani 1 1 d . . . H118 H 0.2450 0.3479 0.1251 0.048 Uiso 1 1 calc R . . N8 N -0.0188(3) 0.1954(2) -0.8496(2) 0.0278(9) Uani 1 1 d . . . C8 C 0.2622(3) 0.4591(3) -0.0027(3) 0.0301(11) Uani 1 1 d . . . O9 O 0.3808(5) 0.5750(4) 0.1334(3) 0.0748(18) Uiso 1 1 d . . . N9 N 0.0951(3) -0.0752(3) -0.9785(2) 0.0330(10) Uani 1 1 d . . . C9 C 0.2280(4) 0.5278(3) -0.0239(3) 0.0311(11) Uani 1 1 d . . . H9 H 0.2425 0.5504 -0.0686 0.037 Uiso 1 1 calc R . . O10 O 0.3798(7) 0.5516(5) 0.2399(5) 0.122(3) Uiso 1 1 d . . . N10 N -0.0047(3) 0.3897(2) -0.8454(2) 0.0283(9) Uani 1 1 d . . . C10 C 0.1735(4) 0.5623(3) 0.0201(3) 0.0332(12) Uani 1 1 d . . . O11 O 0.5025(6) 0.4980(4) 0.1698(4) 0.094(2) Uiso 1 1 d . . . N11 N 0.4889(3) -0.0032(2) -0.8957(2) 0.0280(9) Uani 1 1 d . . . C11 C 0.1537(4) 0.5300(3) 0.0859(3) 0.0334(12) Uani 1 1 d . . . H11 H 0.1180 0.5547 0.1158 0.040 Uiso 1 1 calc R . . O12 O 0.2407(4) 0.3047(3) 0.2538(3) 0.0546(14) Uani 1 1 d . . . H119 H 0.2675 0.2689 0.2740 0.065 Uiso 1 1 calc R . . N12 N 0.3755(4) -0.2550(4) -0.6144(3) 0.0513(16) Uani 1 1 d . . . C12 C 0.1853(4) 0.4626(3) 0.1084(3) 0.0343(12) Uani 1 1 d . . . O13 O 0.4944(4) 0.2764(3) 0.4841(3) 0.0644(16) Uani 1 1 d . . . C13 C 0.2371(4) 0.4267(3) 0.0634(3) 0.0309(11) Uani 1 1 d . . . O14 O 0.3519(4) 0.3169(2) 0.5430(2) 0.0474(12) Uani 1 1 d . . . C14 C 0.1680(4) 0.4277(4) 0.1800(3) 0.0400(14) Uani 1 1 d . . . H14A H 0.1546 0.3844 0.1885 0.048 Uiso 1 1 calc R . . H14B H 0.1175 0.4549 0.2041 0.048 Uiso 1 1 calc R . . O15 O 0.4176(4) 0.2004(3) 0.5755(3) 0.0571(14) Uani 1 1 d . . . C15 C 0.2465(4) 0.4166(3) 0.2034(3) 0.0339(12) Uani 1 1 d . . . O16 O 0.2689(4) 0.2039(2) 0.3522(2) 0.0433(11) Uani 1 1 d . . . C16 C 0.2848(5) 0.4692(3) 0.1891(3) 0.0395(14) Uani 1 1 d . . . H16 H 0.2605 0.5123 0.1660 0.047 Uiso 1 1 calc R . . O17 O 0.3150(16) -0.0385(11) 0.6749(13) 0.053(9) Uiso 0.33 1 d P A 1 C17 C 0.3583(5) 0.4594(3) 0.2080(3) 0.0406(15) Uani 1 1 d . . . O18 O 0.3251(15) -0.0527(13) 0.6765(9) 0.017(3) Uiso 0.33 1 d P A 2 C18 C 0.3936(4) 0.3968(3) 0.2421(3) 0.0372(13) Uani 1 1 d . . . H18 H 0.4436 0.3904 0.2551 0.045 Uiso 1 1 calc R . . O19 O 0.3415(11) -0.0628(9) 0.6672(9) 0.032(5) Uiso 0.33 1 d P A 3 C19 C 0.3572(4) 0.3432(3) 0.2575(3) 0.0345(12) Uani 1 1 d . . . O20 O 0.3609(9) -0.1425(6) 0.6369(6) 0.030(3) Uiso 0.33 1 d P A 1 C20 C 0.2817(5) 0.3538(3) 0.2396(3) 0.0370(13) Uani 1 1 d . . . O21 O 0.3184(16) -0.1473(10) 0.6419(10) 0.051(5) Uiso 0.33 1 d P A 2 C21 C 0.4016(5) 0.2750(3) 0.2913(3) 0.0392(14) Uani 1 1 d . . . H21A H 0.3977 0.2421 0.2730 0.047 Uiso 1 1 calc R . . H21B H 0.4634 0.2744 0.2813 0.047 Uiso 1 1 calc R . . O22 O 0.2909(13) -0.1399(9) 0.6453(9) 0.043(5) Uiso 0.33 1 d P A 3 C22 C 0.3660(4) 0.2535(3) 0.3637(3) 0.0329(12) Uani 1 1 d . . . O23 O 0.2132(8) -0.1006(7) 0.6800(6) 0.023(3) Uiso 0.33 1 d P A 1 C23 C 0.3998(4) 0.2667(3) 0.4038(3) 0.0345(12) Uani 1 1 d . . . H23 H 0.4441 0.2909 0.3856 0.041 Uiso 1 1 calc R . . O24 O 0.1969(9) -0.0783(10) 0.6862(6) 0.026(3) Uiso 0.33 1 d P A 2 C24 C 0.3695(4) 0.2447(3) 0.4696(3) 0.0337(12) Uani 1 1 d . . . O25 O 0.1830(8) -0.0531(8) 0.6875(6) 0.029(3) Uiso 0.33 1 d P A 3 C25 C 0.3046(4) 0.2096(3) 0.4970(3) 0.0316(11) Uani 1 1 d . . . H25 H 0.2839 0.1952 0.5427 0.038 Uiso 1 1 calc R . . O26 O 0.2567(3) 0.08855(19) 0.38744(18) 0.0301(8) Uani 1 1 d . . . H120 H 0.2736 0.0637 0.3631 0.036 Uiso 1 1 calc R . . C26 C 0.2695(4) 0.1953(3) 0.4588(3) 0.0312(11) Uani 1 1 d . . . O27 O 0.093(2) -0.1953(19) 0.5262(15) 0.051(8) Uani 0.33 1 d P B 1 C27 C 0.3003(4) 0.2179(3) 0.3910(3) 0.0335(12) Uani 1 1 d . . . O28 O 0.113(2) -0.210(2) 0.511(2) 0.050(10) Uani 0.33 1 d P B 2 C28 C 0.2020(4) 0.1545(3) 0.4877(3) 0.0352(12) Uani 1 1 d . . . H28B H 0.1641 0.1691 0.4587 0.042 Uiso 1 1 calc R . . H28A H 0.1660 0.1631 0.5296 0.042 Uiso 1 1 calc R . . O29 O 0.1404(17) -0.2260(16) 0.510(2) 0.043(7) Uani 0.33 1 d P B 3 C29 C 0.2385(4) 0.0808(3) 0.4986(3) 0.0296(11) Uani 1 1 d . . . O30 O 0.1410(6) -0.2407(4) 0.4169(5) 0.118(4) Uani 1 1 d . B . C30 C 0.2479(4) 0.0407(3) 0.5587(3) 0.0332(12) Uani 1 1 d . . . H30 H 0.2318 0.0599 0.5933 0.040 Uiso 1 1 calc R . . O31 O 0.0112(4) -0.1713(5) 0.4588(4) 0.093(3) Uani 1 1 d . B . C31 C 0.2807(4) -0.0271(3) 0.5691(3) 0.0306(12) Uani 1 1 d . . . O32 O 0.2518(3) 0.0399(2) 0.2972(2) 0.0417(10) Uani 1 1 d . A . H121 H 0.2405 0.0534 0.2614 0.050 Uiso 1 1 calc R . . C32 C 0.3044(4) -0.0557(3) 0.5190(3) 0.0283(11) Uani 1 1 d . . . H32 H 0.3264 -0.1022 0.5265 0.034 Uiso 1 1 calc R A . O33 O 0.1653(4) -0.1800(3) 0.1584(4) 0.0512(18) Uani 0.70 1 d P C 2 C33 C 0.2964(3) -0.0169(3) 0.4574(3) 0.0269(10) Uani 1 1 d . . . O34 O 0.219(2) -0.1576(11) 0.0846(16) 0.086(9) Uani 0.30 1 d P C 1 C34 C 0.2640(3) 0.0519(3) 0.4471(3) 0.0259(10) Uani 1 1 d . . . O35 O 0.2796(7) -0.1605(4) 0.0616(4) 0.048(2) Uani 0.70 1 d P C 2 C35 C 0.3244(3) -0.0482(3) 0.4028(3) 0.0258(10) Uani 1 1 d . . . H35A H 0.3637 -0.0920 0.4143 0.031 Uiso 1 1 calc R A . H35B H 0.3575 -0.0200 0.3638 0.031 Uiso 1 1 calc R . . O36 O 0.3484(19) -0.1706(10) 0.0873(11) 0.094(10) Uani 0.30 1 d P C 1 C36 C 0.2503(3) -0.0579(3) 0.3867(3) 0.0265(10) Uani 1 1 d . A . O37 O 0.3132(5) -0.2054(4) 0.1629(4) 0.0425(17) Uani 0.70 1 d P C 2 C37 C 0.2132(4) -0.1119(3) 0.4238(3) 0.0306(11) Uani 1 1 d . . . H37 H 0.2324 -0.1414 0.4603 0.037 Uiso 1 1 calc R A . O38 O 0.261(2) -0.2020(11) 0.1895(11) 0.083(9) Uani 0.30 1 d P C 1 C38 C 0.1479(4) -0.1234(3) 0.4081(3) 0.0376(13) Uani 1 1 d . A . O39 O 0.2056(4) 0.1082(2) 0.1474(3) 0.0488(12) Uani 1 1 d . A . H122 H 0.2335 0.1311 0.1133 0.059 Uiso 1 1 calc R . . C39 C 0.1201(4) -0.0814(4) 0.3549(3) 0.0387(14) Uani 1 1 d . . . H39 H 0.0760 -0.0898 0.3443 0.046 Uiso 1 1 calc R A . O40 O 0.2478(4) 0.0387(2) -0.1586(3) 0.0508(12) Uani 1 1 d . . . C40 C 0.1562(4) -0.0268(3) 0.3162(3) 0.0343(13) Uani 1 1 d . A . O41 O 0.1935(4) 0.1506(3) -0.2176(3) 0.0664(17) Uani 1 1 d . . . C41 C 0.2204(4) -0.0143(3) 0.3331(3) 0.0306(11) Uani 1 1 d . . . O42 O 0.3462(4) 0.1090(3) -0.2306(3) 0.0621(15) Uani 1 1 d . . . C42 C 0.1249(5) 0.0183(4) 0.2583(3) 0.0449(16) Uani 1 1 d . . . H42A H 0.1255 0.0645 0.2535 0.054 Uiso 1 1 calc R A . H42B H 0.0646 0.0165 0.2659 0.054 Uiso 1 1 calc R . . O43 O 0.2305(3) 0.2020(2) 0.0302(2) 0.0350(9) Uani 1 1 d . A . C43 C 0.1793(4) 0.0003(3) 0.1954(3) 0.0332(12) Uani 1 1 d . A . O44 O 0.4857(3) 0.0440(2) 0.2823(2) 0.0348(9) Uani 1 1 d . . . C44 C 0.1878(4) -0.0633(3) 0.1903(3) 0.0325(12) Uani 1 1 d . . . H44 H 0.1599 -0.0945 0.2258 0.039 Uiso 1 1 calc R A . O45 O 0.5697(4) 0.2806(2) 0.1408(2) 0.0467(12) Uani 1 1 d . . . C45 C 0.2361(3) -0.0803(3) 0.1343(3) 0.0283(11) Uani 1 1 d . A . O46 O 0.6141(3) 0.1682(2) 0.2275(2) 0.0409(10) Uani 1 1 d . . . C46 C 0.2784(3) -0.0356(3) 0.0824(3) 0.0283(11) Uani 1 1 d . . . H46 H 0.3121 -0.0480 0.0440 0.034 Uiso 1 1 calc R A . O47 O 0.6199(3) 0.0622(2) 0.1837(2) 0.0403(10) Uani 1 1 d . . . C47 C 0.2718(4) 0.0273(3) 0.0865(3) 0.0309(11) Uani 1 1 d . A . O48 O 0.4648(3) 0.1581(2) 0.1862(2) 0.0376(9) Uani 1 1 d . . . C48 C 0.2192(4) 0.0459(3) 0.1420(3) 0.0336(12) Uani 1 1 d . . . O49 O 0.7597(3) 0.1328(2) 0.1144(2) 0.0356(9) Uani 1 1 d . . . C49 C 0.3269(4) 0.0716(3) 0.0301(3) 0.0340(12) Uani 1 1 d . . . H49B H 0.3436 0.0994 0.0473 0.041 Uiso 1 1 calc R A . H49A H 0.3804 0.0429 0.0106 0.041 Uiso 1 1 calc R . . O50 O 0.6190(3) 0.1154(2) 0.0493(2) 0.0428(10) Uani 1 1 d . . . C50 C 0.2844(4) 0.1164(3) -0.0224(3) 0.0315(11) Uani 1 1 d . A . O51 O 0.5056(3) 0.2462(2) 0.0625(2) 0.0389(10) Uani 1 1 d . . . C51 C 0.2919(4) 0.0948(3) -0.0745(3) 0.0345(12) Uani 1 1 d . . . H51 H 0.3255 0.0520 -0.0775 0.041 Uiso 1 1 calc R A . O52 O 0.6954(3) 0.2337(2) 0.0176(2) 0.0467(11) Uani 1 1 d . . . C52 C 0.2508(4) 0.1352(3) -0.1221(3) 0.0340(12) Uani 1 1 d . A . O53 O 0.4113(3) 0.3161(3) -0.3495(2) 0.0463(11) Uiso 1 1 d . . . C53 C 0.2036(4) 0.1983(3) -0.1192(3) 0.0325(12) Uani 1 1 d . . . H53 H 0.1760 0.2258 -0.1521 0.039 Uiso 1 1 calc R A . O54 O 0.149(3) 0.339(2) -0.277(2) 0.059(11) Uiso 0.13 1 d P . 2 C54 C 0.1959(4) 0.2220(3) -0.0684(3) 0.0317(11) Uani 1 1 d . A . O55 O 0.2293(5) 0.3377(4) -0.3502(4) 0.0539(17) Uiso 0.75 1 d P . 1 C55 C 0.2369(3) 0.1810(3) -0.0197(3) 0.0309(11) Uani 1 1 d . . . O56 O 0.2525(8) 0.2186(6) -0.3410(6) 0.018(2) Uiso 0.25 1 d P . 2 C56 C 0.1462(4) 0.2920(3) -0.0673(3) 0.0316(11) Uani 1 1 d . . . H56A H 0.1012 0.3049 -0.0902 0.038 Uiso 1 1 calc R A . H56B H 0.1169 0.2928 -0.0220 0.038 Uiso 1 1 calc R . . O57 O 0.1773(6) 0.4776(5) -0.3856(5) 0.103(3) Uiso 1 1 d . . . C57 C 0.4631(4) 0.0823(3) 0.3697(3) 0.0332(12) Uani 1 1 d . . . H57 H 0.4399 0.1258 0.3467 0.040 Uiso 1 1 calc R . . O58 O 0.2904(6) 0.4565(4) -0.5089(4) 0.065(2) Uani 0.75 1 d P . 1 C58 C 0.4659(4) 0.0708(3) 0.4316(3) 0.0309(11) Uani 1 1 d . . . H58 H 0.4448 0.1062 0.4511 0.037 Uiso 1 1 calc R . . O59 O 0.3731(9) 0.4279(7) -0.4410(7) 0.021(3) Uiso 0.25 1 d P . 2 C59 C 0.4997(3) 0.0072(3) 0.4660(3) 0.0269(10) Uani 1 1 d . . . O60 O 0.4776(7) 0.4019(5) -0.4671(5) 0.083(3) Uiso 0.75 1 d P . 1 C60 C 0.5317(4) -0.0423(3) 0.4338(3) 0.0308(11) Uani 1 1 d . . . H60 H 0.5563 -0.0860 0.4554 0.037 Uiso 1 1 calc R . . O61 O 0.3487(6) 0.5172(4) -0.4438(4) 0.070(2) Uiso 0.75 1 d P . . C61 C 0.5282(4) -0.0289(3) 0.3724(3) 0.0337(12) Uani 1 1 d . . . H61 H 0.5507 -0.0632 0.3512 0.040 Uiso 1 1 calc R . . O62 O -0.0495(8) 0.2878(6) -0.6530(6) 0.094(3) Uiso 0.75 1 d P . 1 C62 C 0.4683(4) 0.3669(3) 0.0976(3) 0.0380(13) Uani 1 1 d . . . H62 H 0.4247 0.3425 0.1221 0.046 Uiso 1 1 calc R . . O63 O -0.0086(3) 0.1671(2) -0.70292(19) 0.0378(10) Uani 1 1 d . . . C63 C 0.4477(4) 0.4295(3) 0.0578(3) 0.0357(12) Uani 1 1 d . . . H63 H 0.3897 0.4480 0.0557 0.043 Uiso 1 1 calc R . . O64 O -0.0321(3) 0.2450(2) -0.82550(19) 0.0375(10) Uani 1 1 d . . . C64 C 0.5105(4) 0.4663(3) 0.0204(3) 0.0360(13) Uani 1 1 d . . . O65 O -0.0074(3) 0.3484(2) -0.7868(2) 0.0357(9) Uani 1 1 d . . . C65 C 0.5940(4) 0.4355(3) 0.0239(5) 0.058(2) Uani 1 1 d . . . H65 H 0.6397 0.4571 -0.0032 0.070 Uiso 1 1 calc R . . O66 O -0.1768(12) 0.3574(8) -0.6750(8) 0.039(3) Uiso 0.30 1 d P . 1 C66 C 0.6119(5) 0.3734(3) 0.0662(5) 0.062(3) Uani 1 1 d . . . H66 H 0.6691 0.3543 0.0700 0.075 Uiso 1 1 calc R . . O67 O -0.2126(10) 0.3533(6) -0.6773(6) 0.036(2) Uiso 0.40 1 d P . 2 C67 C 0.4463(4) 0.2191(3) 0.0010(3) 0.0367(13) Uani 1 1 d . . . H67 H 0.4201 0.1887 0.0385 0.044 Uiso 1 1 calc R . . O68 O -0.2439(10) 0.3473(7) -0.6822(7) 0.030(3) Uiso 0.30 1 d P . 3 C68 C 0.4338(4) 0.2274(3) -0.0571(3) 0.0336(12) Uani 1 1 d . . . H68 H 0.4007 0.2015 -0.0597 0.040 Uiso 1 1 calc R . . O69 O -0.1718(3) 0.2172(2) -0.6156(2) 0.0442(11) Uani 1 1 d . . . C69 C 0.4690(3) 0.2734(3) -0.1127(3) 0.0261(10) Uani 1 1 d . . . O70 O -0.1997(3) 0.2229(3) -0.7314(3) 0.0526(13) Uani 1 1 d . . . C70 C 0.5191(4) 0.3083(3) -0.1062(3) 0.0328(12) Uani 1 1 d . . . H70 H 0.5449 0.3396 -0.1429 0.039 Uiso 1 1 calc R . . O71 O -0.1748(3) 0.3562(2) -0.8084(2) 0.0414(10) Uani 1 1 d . . . C71 C 0.5318(4) 0.2980(3) -0.0473(3) 0.0329(12) Uani 1 1 d . . . H71 H 0.5661 0.3223 -0.0435 0.039 Uiso 1 1 calc R . . O72 O 0.1174(3) -0.1277(2) -1.0015(2) 0.0426(10) Uani 1 1 d . . . C72 C 0.4522(3) 0.2854(3) -0.1751(3) 0.0276(10) Uani 1 1 d . . . O73 O 0.5204(3) 0.0405(2) -0.9485(2) 0.0357(9) Uani 1 1 d . . . C73 C 0.4046(4) 0.2487(3) -0.1825(3) 0.0319(11) Uani 1 1 d . . . H73 H 0.3810 0.2157 -0.1465 0.038 Uiso 1 1 calc R . . O74 O 0.3643(4) -0.3071(4) -0.5632(3) 0.079(2) Uani 1 1 d . . . C74 C 0.3917(4) 0.2602(3) -0.2422(3) 0.0386(13) Uani 1 1 d . . . H74 H 0.3606 0.2341 -0.2469 0.046 Uiso 1 1 calc R . . O75 O 0.0975(19) -0.2271(16) 0.2937(11) 0.109(9) Uani 0.33 1 d P C . C75 C 0.4687(5) 0.3439(4) -0.2874(3) 0.0455(16) Uani 1 1 d . . . H75 H 0.4910 0.3770 -0.3240 0.055 Uiso 1 1 calc R . . O76 O 0.2577(15) -0.3185(8) 0.2484(9) 0.086(8) Uani 0.33 1 d P C . C76 C 0.4835(5) 0.3338(3) -0.2301(3) 0.0415(14) Uani 1 1 d . . . H76 H 0.5158 0.3602 -0.2273 0.050 Uiso 1 1 calc R . . O77 O 0.050(3) -0.346(2) 0.329(2) 0.039(9) Uiso 0.11 1 d P C 3 C77 C 0.1888(10) 0.3972(8) -0.4900(8) 0.088(4) Uiso 0.75 1 d P . 1 H77 H 0.1828 0.3842 -0.4448 0.105 Uiso 0.75 1 calc PR . 1 O78 O 0.056(2) -0.3246(18) 0.2959(19) 0.029(7) Uiso 0.11 1 d P C 2 C78 C 0.1406(10) 0.3766(7) -0.5155(7) 0.077(4) Uiso 0.75 1 d P . 1 H78 H 0.1013 0.3496 -0.4865 0.093 Uiso 0.75 1 calc PR . 1 O79 O -0.003(3) -0.285(3) 0.307(3) 0.060(13) Uiso 0.11 1 d P C 1 C79 C 0.1483(8) 0.3945(6) -0.5826(6) 0.061(3) Uiso 0.75 1 d P . 1 O80 O 0.0597(15) -0.3694(11) 0.1986(11) 0.084(7) Uani 0.33 1 d P C . C80 C 0.2097(9) 0.4313(7) -0.6189(7) 0.074(3) Uiso 0.75 1 d P . 1 H80 H 0.2204 0.4432 -0.6645 0.088 Uiso 0.75 1 calc PR . 1 O81 O -0.034(2) -0.2339(16) 0.2068(14) 0.047(7) Uani 0.17 1 d P C 2 C81 C 0.2552(8) 0.4517(7) -0.5963(6) 0.066(3) Uiso 0.75 1 d P . 1 H81 H 0.2959 0.4774 -0.6254 0.079 Uiso 0.75 1 calc PR . 1 O82 O 0.0725(7) -0.2387(5) 0.1014(5) 0.024(2) Uani 0.33 1 d P C 1 C82 C 0.0984(7) 0.3705(6) -0.6053(6) 0.056(2) Uiso 0.75 1 d P . 1 O83 O -0.0168(10) -0.1793(9) 0.2153(8) 0.056(4) Uani 0.33 1 d P C 1 C83 C 0.0776(9) 0.3071(7) -0.5699(7) 0.069(3) Uiso 0.75 1 d P . 1 H83 H 0.0917 0.2843 -0.5300 0.083 Uiso 0.75 1 calc PR . 1 O84 O 0.2230(8) -0.3350(7) 0.1303(6) 0.035(3) Uani 0.33 1 d P C . C84 C 0.0396(8) 0.2803(7) -0.5917(6) 0.065(3) Uiso 0.75 1 d P . 1 H84 H 0.0313 0.2366 -0.5688 0.078 Uiso 0.75 1 calc PR . 1 O85 O 0.3264(14) -0.2314(12) -0.4631(11) 0.050(5) Uiso 0.25 1 d P D 3 C85 C 0.0353(13) 0.3682(11) -0.6729(11) 0.115(6) Uiso 0.75 1 d P . 1 H85 H 0.0270 0.3861 -0.7151 0.137 Uiso 0.75 1 calc PR . 1 O86 O 0.3317(16) -0.2699(14) -0.4470(12) 0.062(6) Uiso 0.25 1 d P E 2 C86 C 0.0657(9) 0.4060(8) -0.6575(7) 0.078(4) Uiso 0.75 1 d P . 1 H86 H 0.0653 0.4516 -0.6793 0.094 Uiso 0.75 1 calc PR . 1 O87 O 0.3495(10) -0.2397(7) -0.4015(7) 0.079(4) Uiso 0.50 1 d P F 1 C87 C 0.0528(4) 0.1156(3) -0.6174(3) 0.0348(12) Uani 1 1 d . . . H87 H 0.0925 0.1438 -0.6367 0.042 Uiso 1 1 calc R . . O88 O 0.0341(9) -0.2261(7) 0.0788(7) 0.092(4) Uiso 0.65 1 d P G 2 C88 C 0.0549(4) 0.0686(3) -0.5595(3) 0.0342(12) Uani 1 1 d . . . H88 H 0.0957 0.0653 -0.5384 0.041 Uiso 1 1 calc R . . O89 O -0.0450(15) -0.0744(12) 0.2657(12) 0.041(5) Uiso 0.20 1 d P H 2 C89 C -0.0017(3) 0.0253(2) -0.5308(2) 0.0252(10) Uani 1 1 d . . . O90 O -0.062(3) -0.0616(19) 0.306(2) 0.130(12) Uiso 0.30 1 d P I 1 C90 C -0.0598(4) 0.0333(3) -0.5642(3) 0.0324(12) Uani 1 1 d . . . H90 H -0.0990 0.0048 -0.5470 0.039 Uiso 1 1 calc R . . O91 O -0.0446(16) -0.1728(12) 0.3670(12) 0.062(6) Uiso 0.25 1 d P . . C91 C -0.0619(4) 0.0812(3) -0.6215(3) 0.0347(12) Uani 1 1 d . . . H91 H -0.1027 0.0861 -0.6432 0.042 Uiso 1 1 calc R . . O92 O 0.1823(4) -0.0253(3) -0.2066(3) 0.0610(15) Uani 1 1 d . . . C92 C -0.0326(5) 0.1353(3) -0.8116(3) 0.0395(14) Uani 1 1 d . . . H92 H -0.0553 0.1286 -0.7663 0.047 Uiso 1 1 calc R . . O93 O 0.1053(13) 0.2676(11) -0.3880(10) 0.051(5) Uiso 0.25 1 d P . . C93 C -0.0146(4) 0.0835(3) -0.8373(3) 0.0339(12) Uani 1 1 d . . . H93 H -0.0259 0.0418 -0.8095 0.041 Uiso 1 1 calc R . . O94 O 0.0876(15) 0.3539(12) -0.2422(11) 0.013(4) Uiso 0.13 1 d P J 1 C94 C 0.0197(3) 0.0911(3) -0.9027(3) 0.0264(10) Uani 1 1 d . . . O95 O 0.1721(10) 0.1905(10) 0.2394(8) 0.067(5) Uani 0.35 1 d P . . C95 C 0.0299(4) 0.1546(3) -0.9410(3) 0.0359(13) Uani 1 1 d . . . H95 H 0.0502 0.1626 -0.9866 0.043 Uiso 1 1 calc R . . O96 O 0.3167(5) 0.2192(5) 0.1529(4) 0.057(2) Uani 0.65 1 d P . . C96 C 0.0117(4) 0.2053(3) -0.9149(3) 0.0333(12) Uani 1 1 d . . . H96 H 0.0202 0.2478 -0.9422 0.040 Uiso 1 1 calc R . . O97 O 0.2847(13) 0.7291(10) -0.1840(10) 0.048(5) Uiso 0.25 1 d P K 2 C97 C 0.0453(3) 0.0337(3) -0.9296(3) 0.0283(11) Uani 1 1 d . . . O98 O 0.2286(5) 0.7600(4) -0.1561(4) 0.0582(18) Uiso 0.75 1 d P L 1 C98 C 0.0106(4) -0.0227(3) -0.8962(3) 0.0385(13) Uani 1 1 d . . . H98 H -0.0312 -0.0243 -0.8557 0.046 Uiso 1 1 calc R . . O99 O 0.6484(14) 0.3903(11) 0.1916(11) 0.035(4) Uiso 0.20 1 d P M 2 C99 C 0.0363(4) -0.0755(3) -0.9213(3) 0.0407(14) Uani 1 1 d . . . H99 H 0.0120 -0.1133 -0.8977 0.049 Uiso 1 1 calc R . . O100 O 0.6370(9) 0.3988(7) 0.2204(7) 0.033(3) Uiso 0.30 1 d P N 1 C100 C 0.1306(4) -0.0229(3) -1.0118(3) 0.0409(14) Uani 1 1 d . . . H100 H 0.1728 -0.0232 -1.0519 0.049 Uiso 1 1 calc R . . O101 O 0.5980(8) 0.2660(6) 0.2865(6) 0.063(3) Uiso 0.50 1 d P . . C101 C 0.1062(4) 0.0320(3) -0.9882(3) 0.0365(13) Uani 1 1 d . . . H101 H 0.1317 0.0691 -1.0126 0.044 Uiso 1 1 calc R . . O102 O 0.4636(17) 0.5193(14) 0.3325(13) 0.071(7) Uiso 0.25 1 d P . . C102 C 0.0482(4) 0.3697(3) -0.8977(3) 0.0366(13) Uani 1 1 d . . . H102 H 0.0837 0.3262 -0.8926 0.044 Uiso 1 1 calc R . . O103 O 0.3193(19) 0.5883(13) 0.4130(13) 0.021(5) Uiso 0.13 1 d P O 2 C103 C 0.0505(4) 0.4127(3) -0.9583(3) 0.0335(12) Uani 1 1 d . . . H103 H 0.0880 0.3983 -0.9950 0.040 Uiso 1 1 calc R . . O104 O 0.360(2) 0.5868(16) 0.4207(16) 0.032(7) Uiso 0.13 1 d P P 1 C104 C -0.0011(3) 0.4770(2) -0.9673(3) 0.0260(10) Uani 1 1 d . . . O105 O 0.5100(16) 0.4846(12) 0.4168(11) 0.033(5) Uiso 0.19 1 d P Q 2 C105 C -0.0531(4) 0.4948(3) -0.9120(3) 0.0417(15) Uani 1 1 d . . . H105 H -0.0896 0.5379 -0.9157 0.050 Uiso 1 1 calc R . . O106 O 0.538(4) 0.460(3) 0.406(3) 0.028(13) Uiso 0.06 1 d P R 1 C106 C -0.0535(5) 0.4517(3) -0.8515(3) 0.0424(15) Uani 1 1 d . . . H106 H -0.0883 0.4657 -0.8141 0.051 Uiso 1 1 calc R . . O107 O 0.7589(15) 0.3497(11) 0.4493(10) 0.048(5) Uiso 0.25 1 d P S 1 C107 C 0.4744(4) 0.0049(3) -0.8371(3) 0.0400(14) Uani 1 1 d . . . H107 H 0.4831 0.0441 -0.8344 0.048 Uiso 1 1 calc R . . O108 O 0.7958(16) 0.3534(11) 0.4476(11) 0.051(5) Uiso 0.25 1 d P T 2 C108 C 0.4475(4) -0.0421(3) -0.7817(3) 0.0394(14) Uani 1 1 d . . . H108 H 0.4392 -0.0355 -0.7411 0.047 Uiso 1 1 calc R . . C109 C 0.4319(4) -0.0993(3) -0.7835(3) 0.0308(11) Uani 1 1 d . . . C110 C 0.4418(3) -0.1047(3) -0.8443(3) 0.0281(11) Uani 1 1 d . . . H110 H 0.4278 -0.1413 -0.8479 0.034 Uiso 1 1 calc R . . C111 C 0.4720(3) -0.0569(3) -0.8998(3) 0.0292(11) Uani 1 1 d . . . H111 H 0.4809 -0.0622 -0.9410 0.035 Uiso 1 1 calc R . . C112 C 0.4091(4) -0.1520(3) -0.7243(3) 0.0316(12) Uani 1 1 d . . . C113 C 0.4472(4) -0.1672(3) -0.6748(3) 0.0379(13) Uani 1 1 d . . . H113 H 0.4857 -0.1421 -0.6785 0.045 Uiso 1 1 calc R . . C114 C 0.4289(4) -0.2195(4) -0.6197(3) 0.0431(15) Uani 1 1 d . . . H114 H 0.4548 -0.2297 -0.5859 0.052 Uiso 1 1 calc R . . C115 C 0.3359(5) -0.2412(4) -0.6602(3) 0.054(2) Uani 1 1 d . . . H115 H 0.2963 -0.2665 -0.6542 0.065 Uiso 1 1 calc R . . C116 C 0.3521(4) -0.1908(3) -0.7160(3) 0.0384(14) Uani 1 1 d . . . H116 H 0.3251 -0.1822 -0.7488 0.046 Uiso 1 1 calc R . . O62A O -0.0071(10) 0.2672(7) -0.6618(7) 0.022(3) Uiso 0.25 1 d P . 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Eu1 0.03122(14) 0.02175(13) 0.03613(15) -0.00405(11) -0.01655(11) -0.00548(10) S1 0.0844(14) 0.0306(8) 0.0241(7) -0.0056(6) -0.0098(8) 0.0069(8) O1 0.109(5) 0.042(3) 0.035(3) -0.015(2) -0.023(3) 0.018(3) N1 0.029(2) 0.028(2) 0.031(2) -0.0067(19) -0.0097(19) -0.0079(18) C1 0.031(3) 0.022(2) 0.031(3) -0.010(2) -0.011(2) 0.005(2) Eu2 0.0566(3) 0.0433(2) 0.0362(2) -0.01591(19) -0.0228(2) 0.0048(2) S2 0.0428(9) 0.0357(8) 0.0511(10) -0.0052(7) -0.0093(8) 0.0091(7) O2 0.103(5) 0.060(4) 0.033(3) -0.017(3) -0.023(3) 0.037(3) N2 0.046(3) 0.028(2) 0.048(3) -0.013(2) -0.023(2) -0.005(2) C2 0.046(3) 0.024(3) 0.033(3) -0.012(2) -0.017(3) 0.006(2) Eu3 0.0632(10) 0.0527(9) 0.0505(8) -0.0264(7) -0.0284(8) 0.0142(7) S3 0.1049(18) 0.0547(11) 0.0630(12) 0.0102(10) -0.0467(13) -0.0509(12) O3 0.184(9) 0.085(5) 0.050(4) 0.015(4) -0.022(5) -0.076(6) N3 0.030(2) 0.032(2) 0.029(2) -0.0087(19) -0.0148(19) -0.0024(18) C3 0.063(4) 0.022(3) 0.021(3) -0.004(2) -0.012(3) 0.002(3) Eu4 0.05078(18) 0.02345(14) 0.02083(13) -0.00034(10) -0.00578(12) -0.01183(12) S4 0.0456(9) 0.0414(8) 0.0421(8) -0.0177(7) -0.0204(7) -0.0047(7) O4 0.0327(19) 0.0228(18) 0.0274(19) -0.0039(15) -0.0116(16) -0.0031(15) N4 0.041(3) 0.034(3) 0.028(2) -0.012(2) -0.013(2) 0.004(2) C4 0.044(3) 0.020(2) 0.029(3) -0.004(2) -0.002(2) -0.002(2) Eu5 0.0446(5) 0.0476(5) 0.0242(4) -0.0086(4) 0.0017(4) -0.0295(4) S5 0.0596(10) 0.0544(10) 0.0214(6) 0.0041(6) -0.0152(7) -0.0324(8) O5 0.124(6) 0.046(3) 0.067(4) -0.002(3) -0.051(4) 0.003(4) C5 0.032(3) 0.026(3) 0.027(3) -0.006(2) -0.006(2) -0.001(2) S6 0.0535(11) 0.0766(14) 0.0554(11) -0.0227(10) 0.0017(9) -0.0425(10) O6 0.077(4) 0.039(3) 0.072(4) -0.018(3) -0.015(3) -0.016(3) C6 0.025(2) 0.021(2) 0.028(3) -0.007(2) -0.006(2) 0.0008(19) S7 0.0439(8) 0.0289(7) 0.0288(7) -0.0062(6) -0.0127(6) -0.0071(6) O7 0.038(3) 0.059(4) 0.100(5) -0.015(3) -0.009(3) 0.010(3) N7 0.029(2) 0.029(2) 0.021(2) -0.0050(18) -0.0098(18) 0.0035(18) C7 0.032(3) 0.031(3) 0.035(3) -0.006(2) -0.003(2) -0.007(2) S8 0.0613(10) 0.0286(7) 0.0423(9) -0.0110(7) -0.0176(8) -0.0048(7) O8 0.054(3) 0.031(2) 0.036(2) 0.0016(18) -0.023(2) -0.0124(19) N8 0.034(2) 0.023(2) 0.024(2) -0.0038(17) -0.0094(18) -0.0041(18) C8 0.024(2) 0.037(3) 0.032(3) -0.007(2) -0.013(2) -0.008(2) N9 0.031(2) 0.038(3) 0.035(3) -0.017(2) -0.012(2) -0.003(2) C9 0.026(3) 0.034(3) 0.032(3) -0.006(2) -0.013(2) -0.003(2) N10 0.031(2) 0.024(2) 0.030(2) -0.0063(18) -0.0067(19) -0.0088(18) C10 0.025(3) 0.036(3) 0.039(3) -0.008(3) -0.017(2) -0.002(2) N11 0.027(2) 0.031(2) 0.029(2) -0.0088(19) -0.0119(18) -0.0043(18) C11 0.035(3) 0.037(3) 0.033(3) -0.008(2) -0.014(2) -0.011(2) O12 0.085(4) 0.039(3) 0.055(3) 0.006(2) -0.038(3) -0.033(3) N12 0.041(3) 0.072(4) 0.025(3) 0.002(3) -0.008(2) -0.010(3) C12 0.037(3) 0.039(3) 0.032(3) -0.004(2) -0.016(2) -0.015(2) O13 0.052(3) 0.089(4) 0.072(4) -0.042(4) -0.016(3) -0.020(3) C13 0.034(3) 0.031(3) 0.035(3) -0.007(2) -0.017(2) -0.011(2) O14 0.067(3) 0.042(3) 0.040(3) -0.016(2) -0.026(2) -0.004(2) C14 0.048(4) 0.047(4) 0.031(3) -0.003(3) -0.016(3) -0.021(3) O15 0.085(4) 0.041(3) 0.061(3) -0.010(2) -0.049(3) -0.006(3) C15 0.047(3) 0.034(3) 0.024(3) -0.001(2) -0.015(2) -0.015(3) O16 0.080(3) 0.031(2) 0.032(2) -0.0011(18) -0.030(2) -0.021(2) C16 0.058(4) 0.035(3) 0.034(3) -0.001(3) -0.024(3) -0.017(3) C17 0.064(4) 0.036(3) 0.033(3) 0.001(3) -0.024(3) -0.026(3) C18 0.049(4) 0.041(3) 0.027(3) -0.002(2) -0.017(3) -0.018(3) C19 0.048(3) 0.035(3) 0.023(3) -0.007(2) -0.012(2) -0.010(3) C20 0.054(4) 0.038(3) 0.028(3) -0.006(2) -0.014(3) -0.022(3) C21 0.057(4) 0.031(3) 0.026(3) -0.007(2) -0.010(3) -0.008(3) C22 0.043(3) 0.026(3) 0.031(3) -0.007(2) -0.015(2) -0.003(2) C23 0.038(3) 0.031(3) 0.036(3) -0.013(2) -0.009(2) -0.006(2) C24 0.039(3) 0.033(3) 0.035(3) -0.015(2) -0.014(2) -0.005(2) C25 0.034(3) 0.031(3) 0.029(3) -0.013(2) -0.009(2) -0.001(2) O26 0.041(2) 0.0274(19) 0.0238(18) -0.0038(15) -0.0114(16) -0.0111(16) C26 0.036(3) 0.028(3) 0.030(3) -0.013(2) -0.008(2) -0.003(2) O27 0.06(2) 0.056(16) 0.037(12) -0.019(9) 0.010(10) -0.028(15) C27 0.047(3) 0.024(3) 0.031(3) -0.007(2) -0.016(3) -0.004(2) O28 0.03(2) 0.07(3) 0.051(19) -0.008(17) -0.012(19) -0.010(17) C28 0.038(3) 0.035(3) 0.034(3) -0.013(2) -0.009(2) -0.005(2) O29 0.034(16) 0.046(14) 0.044(11) 0.020(11) -0.024(14) -0.024(12) C29 0.029(3) 0.034(3) 0.028(3) -0.011(2) -0.006(2) -0.009(2) O30 0.104(6) 0.085(6) 0.155(8) -0.053(6) 0.036(6) -0.064(5) C30 0.035(3) 0.047(3) 0.023(2) -0.013(2) -0.002(2) -0.018(3) O31 0.055(4) 0.157(8) 0.079(5) -0.029(5) 0.004(3) -0.067(5) C31 0.031(3) 0.045(3) 0.020(2) -0.003(2) -0.006(2) -0.021(2) O32 0.064(3) 0.038(2) 0.024(2) -0.0039(18) -0.018(2) -0.010(2) C32 0.033(3) 0.030(3) 0.023(2) 0.000(2) -0.009(2) -0.014(2) O33 0.036(3) 0.037(4) 0.083(6) -0.011(4) -0.014(4) -0.019(3) C33 0.028(2) 0.032(3) 0.023(2) -0.004(2) -0.008(2) -0.011(2) O34 0.15(3) 0.039(11) 0.11(2) -0.012(13) -0.11(2) -0.002(15) C34 0.026(2) 0.030(3) 0.024(2) -0.004(2) -0.008(2) -0.011(2) O35 0.081(6) 0.044(4) 0.033(4) -0.013(3) -0.008(4) -0.037(5) C35 0.027(2) 0.027(2) 0.025(2) -0.008(2) -0.009(2) -0.007(2) O36 0.12(2) 0.031(10) 0.062(13) 0.004(9) 0.017(14) 0.013(11) C36 0.028(2) 0.028(3) 0.026(2) -0.010(2) -0.010(2) -0.003(2) O37 0.046(4) 0.032(4) 0.055(5) -0.014(4) -0.028(4) 0.001(3) C37 0.033(3) 0.032(3) 0.024(2) -0.004(2) -0.007(2) -0.007(2) O38 0.17(3) 0.038(11) 0.042(12) 0.005(9) -0.038(15) -0.029(17) C38 0.029(3) 0.051(4) 0.037(3) -0.020(3) -0.003(2) -0.011(3) O39 0.070(3) 0.032(2) 0.052(3) -0.020(2) -0.029(3) 0.003(2) C39 0.028(3) 0.055(4) 0.039(3) -0.023(3) -0.010(2) -0.005(3) O40 0.067(3) 0.036(2) 0.052(3) -0.017(2) -0.015(3) -0.011(2) C40 0.031(3) 0.044(3) 0.029(3) -0.020(3) -0.011(2) 0.004(2) O41 0.090(4) 0.050(3) 0.067(4) -0.026(3) -0.043(3) 0.010(3) C41 0.038(3) 0.029(3) 0.025(3) -0.011(2) -0.012(2) -0.001(2) O42 0.083(4) 0.053(3) 0.045(3) -0.015(3) -0.002(3) -0.022(3) C42 0.044(4) 0.049(4) 0.039(3) -0.022(3) -0.020(3) 0.014(3) O43 0.039(2) 0.029(2) 0.037(2) -0.0062(17) -0.0125(18) -0.0079(17) C43 0.031(3) 0.037(3) 0.033(3) -0.017(2) -0.018(2) 0.009(2) O44 0.042(2) 0.034(2) 0.029(2) -0.0070(17) -0.0104(17) -0.0109(18) C44 0.032(3) 0.035(3) 0.027(3) -0.006(2) -0.011(2) -0.001(2) O45 0.069(3) 0.029(2) 0.053(3) -0.008(2) -0.038(3) -0.004(2) C45 0.028(3) 0.027(3) 0.032(3) -0.007(2) -0.016(2) -0.001(2) O46 0.045(2) 0.041(2) 0.039(2) -0.009(2) -0.022(2) -0.0035(19) C46 0.028(3) 0.033(3) 0.029(3) -0.011(2) -0.013(2) -0.003(2) O47 0.038(2) 0.025(2) 0.047(3) -0.0014(18) -0.009(2) -0.0063(17) C47 0.027(3) 0.029(3) 0.038(3) -0.007(2) -0.017(2) -0.001(2) O48 0.033(2) 0.035(2) 0.043(2) -0.0089(19) -0.0121(18) -0.0049(17) C48 0.033(3) 0.034(3) 0.040(3) -0.013(3) -0.022(2) 0.002(2) O49 0.031(2) 0.039(2) 0.036(2) -0.0100(18) -0.0094(17) -0.0068(17) C49 0.031(3) 0.029(3) 0.043(3) -0.004(2) -0.018(2) -0.006(2) O50 0.049(3) 0.036(2) 0.051(3) -0.018(2) -0.009(2) -0.018(2) C50 0.027(3) 0.024(3) 0.039(3) -0.005(2) -0.009(2) -0.005(2) O51 0.044(2) 0.042(2) 0.033(2) -0.0114(19) -0.0215(19) -0.0003(19) C51 0.032(3) 0.020(2) 0.046(3) -0.008(2) -0.010(3) -0.002(2) O52 0.053(3) 0.042(3) 0.046(3) 0.004(2) -0.019(2) -0.023(2) C52 0.037(3) 0.025(3) 0.039(3) -0.005(2) -0.009(2) -0.010(2) C53 0.033(3) 0.026(3) 0.038(3) -0.007(2) -0.011(2) -0.006(2) C54 0.029(3) 0.026(3) 0.039(3) -0.008(2) -0.006(2) -0.008(2) C55 0.024(2) 0.030(3) 0.037(3) -0.009(2) -0.006(2) -0.008(2) C56 0.024(2) 0.028(3) 0.040(3) -0.011(2) -0.010(2) 0.001(2) C57 0.033(3) 0.024(3) 0.039(3) -0.006(2) -0.012(2) -0.002(2) O58 0.087(6) 0.058(5) 0.060(5) -0.007(4) -0.045(4) -0.012(4) C58 0.032(3) 0.024(3) 0.035(3) -0.010(2) -0.010(2) 0.000(2) C59 0.020(2) 0.028(3) 0.032(3) -0.010(2) -0.003(2) -0.0071(19) C60 0.034(3) 0.025(3) 0.035(3) -0.009(2) -0.010(2) -0.006(2) C61 0.032(3) 0.028(3) 0.041(3) -0.011(2) -0.010(2) -0.005(2) C62 0.042(3) 0.041(3) 0.031(3) -0.008(3) -0.011(3) -0.010(3) O63 0.035(2) 0.047(3) 0.0200(18) -0.0001(17) -0.0070(16) -0.0053(18) C63 0.029(3) 0.041(3) 0.035(3) -0.011(3) -0.007(2) -0.007(2) O64 0.063(3) 0.0235(19) 0.0244(19) -0.0025(16) -0.0101(19) -0.0132(19) C64 0.028(3) 0.026(3) 0.056(4) -0.017(3) -0.012(3) -0.003(2) O65 0.046(2) 0.032(2) 0.029(2) -0.0019(17) -0.0141(18) -0.0129(18) C65 0.031(3) 0.023(3) 0.116(7) -0.007(4) -0.026(4) -0.006(2) C66 0.041(4) 0.022(3) 0.131(8) -0.015(4) -0.044(5) -0.001(3) C67 0.041(3) 0.040(3) 0.031(3) -0.003(2) -0.012(2) -0.016(3) C68 0.034(3) 0.042(3) 0.031(3) -0.006(2) -0.011(2) -0.018(2) O69 0.057(3) 0.028(2) 0.027(2) -0.0027(17) 0.0024(19) -0.0031(19) C69 0.022(2) 0.027(2) 0.029(3) -0.009(2) -0.008(2) -0.0014(19) O70 0.058(3) 0.042(3) 0.051(3) 0.014(2) -0.023(2) -0.024(2) C70 0.037(3) 0.031(3) 0.032(3) -0.003(2) -0.013(2) -0.011(2) O71 0.041(2) 0.030(2) 0.042(2) -0.0013(19) -0.009(2) -0.0059(18) C71 0.036(3) 0.031(3) 0.036(3) -0.008(2) -0.015(2) -0.010(2) O72 0.047(3) 0.047(3) 0.042(2) -0.025(2) -0.008(2) -0.010(2) C72 0.026(2) 0.028(3) 0.026(3) -0.010(2) -0.007(2) 0.000(2) O73 0.039(2) 0.038(2) 0.034(2) -0.0059(18) -0.0117(18) -0.0152(18) C73 0.033(3) 0.035(3) 0.028(3) -0.011(2) -0.009(2) -0.006(2) O74 0.072(4) 0.099(5) 0.038(3) 0.022(3) -0.016(3) -0.028(4) C74 0.037(3) 0.044(3) 0.039(3) -0.019(3) -0.016(3) 0.002(3) O75 0.14(2) 0.16(3) 0.071(14) -0.052(16) -0.045(15) -0.05(2) C75 0.054(4) 0.045(4) 0.028(3) -0.005(3) -0.006(3) -0.009(3) O76 0.121(17) 0.038(9) 0.069(12) -0.017(8) 0.044(11) -0.052(10) C76 0.049(4) 0.045(4) 0.030(3) -0.005(3) -0.012(3) -0.016(3) O80 0.102(16) 0.091(15) 0.078(13) -0.048(12) 0.016(12) -0.061(13) O81 0.056(18) 0.060(19) 0.037(15) -0.011(14) -0.011(13) -0.033(15) O82 0.028(5) 0.019(5) 0.026(5) -0.004(4) -0.008(5) -0.007(4) O83 0.048(9) 0.076(12) 0.042(8) -0.019(8) 0.001(7) -0.021(8) O84 0.032(6) 0.057(8) 0.022(6) -0.015(6) -0.015(5) -0.004(6) C87 0.034(3) 0.041(3) 0.026(3) -0.001(2) -0.010(2) -0.010(2) C88 0.031(3) 0.042(3) 0.030(3) -0.003(2) -0.014(2) -0.010(2) C89 0.024(2) 0.023(2) 0.025(3) -0.005(2) -0.0101(19) 0.0017(18) C90 0.035(3) 0.031(3) 0.032(3) -0.003(2) -0.015(2) -0.009(2) C91 0.035(3) 0.040(3) 0.032(3) -0.004(2) -0.021(2) -0.006(2) O92 0.052(3) 0.069(4) 0.071(4) -0.035(3) -0.022(3) -0.001(3) C92 0.071(4) 0.029(3) 0.018(2) 0.002(2) -0.011(3) -0.019(3) C93 0.049(3) 0.024(3) 0.025(3) 0.000(2) -0.012(2) -0.009(2) C94 0.021(2) 0.029(3) 0.029(3) -0.006(2) -0.011(2) -0.0034(19) O95 0.045(8) 0.118(14) 0.063(10) -0.064(10) 0.035(7) -0.059(9) C95 0.039(3) 0.035(3) 0.025(3) -0.006(2) -0.001(2) -0.008(2) O96 0.029(3) 0.089(6) 0.047(4) -0.016(4) -0.022(3) 0.007(4) C96 0.039(3) 0.027(3) 0.026(3) 0.000(2) -0.003(2) -0.011(2) C97 0.024(2) 0.030(3) 0.033(3) -0.008(2) -0.012(2) -0.005(2) C98 0.038(3) 0.035(3) 0.037(3) -0.012(3) -0.001(3) -0.009(2) C99 0.042(3) 0.036(3) 0.044(3) -0.018(3) -0.002(3) -0.012(3) C100 0.040(3) 0.048(4) 0.034(3) -0.019(3) -0.005(3) -0.007(3) C101 0.035(3) 0.042(3) 0.033(3) -0.014(3) -0.004(2) -0.011(3) C102 0.035(3) 0.024(3) 0.036(3) -0.005(2) -0.003(2) 0.001(2) C103 0.031(3) 0.022(3) 0.036(3) -0.005(2) -0.002(2) 0.000(2) C104 0.023(2) 0.020(2) 0.030(3) -0.008(2) -0.003(2) -0.0021(18) C105 0.049(4) 0.022(3) 0.035(3) -0.005(2) -0.004(3) 0.006(2) C106 0.055(4) 0.030(3) 0.032(3) -0.010(3) -0.004(3) -0.004(3) C107 0.049(4) 0.039(3) 0.041(3) -0.017(3) -0.014(3) -0.011(3) C108 0.051(4) 0.042(3) 0.031(3) -0.017(3) -0.007(3) -0.013(3) C109 0.027(3) 0.036(3) 0.029(3) -0.012(2) -0.008(2) -0.003(2) C110 0.028(3) 0.031(3) 0.030(3) -0.011(2) -0.014(2) -0.001(2) C111 0.028(3) 0.030(3) 0.035(3) -0.011(2) -0.016(2) -0.003(2) C112 0.027(3) 0.040(3) 0.028(3) -0.016(2) -0.009(2) 0.003(2) C113 0.038(3) 0.046(3) 0.029(3) -0.015(3) -0.014(2) 0.002(3) C114 0.036(3) 0.051(4) 0.032(3) -0.015(3) -0.012(3) 0.010(3) C115 0.044(4) 0.078(5) 0.035(3) 0.006(3) -0.012(3) -0.029(4) C116 0.035(3) 0.053(4) 0.024(3) -0.005(3) -0.008(2) -0.011(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 O45 2.340(5) . ? Eu1 O51 2.361(4) . ? Eu1 O47 2.402(4) . ? Eu1 O48 2.403(4) . ? Eu1 O50 2.412(4) . ? Eu1 O46 2.424(4) . ? Eu1 O49 2.454(4) . ? Eu1 O52 2.486(5) . ? S1 O3 1.439(9) . ? S1 O1 1.447(5) . ? S1 O2 1.456(7) . ? S1 C3 1.757(6) . ? O1 Eu2 2.355(5) . ? O1 Eu3 2.628(7) . ? N1 O44 1.326(6) . ? N1 C57 1.346(6) . ? N1 C61 1.354(6) . ? C1 C2 1.401(8) . ? C1 C6 1.411(8) . ? C1 C56 1.509(6) . ? Eu2 O55 2.320(7) . ? Eu2 O53 2.352(5) . ? Eu2 O58 2.364(7) . ? Eu2 O61 2.417(9) . ? Eu2 O14 2.427(5) 1_554 ? Eu2 O60 2.432(10) . ? Eu2 O57 2.515(9) . ? S2 O7 1.420(6) . ? S2 O5 1.428(7) . ? S2 O6 1.486(6) . ? S2 C10 1.778(6) . ? N2 O45 1.313(7) . ? N2 C66 1.340(8) . ? N2 C62 1.346(7) . ? C2 C3 1.383(9) . ? Eu3 O14 2.304(5) 1_554 ? Eu3 O59 2.400(13) . ? Eu3 O54 2.46(5) . ? Eu3 O57 2.464(9) . ? Eu3 O53 2.527(5) . ? Eu3 O56 3.094(13) . ? S3 O10 1.419(11) . ? S3 O9 1.430(7) . ? S3 O11 1.460(9) . ? S3 C17 1.768(6) . ? N3 O51 1.331(6) . ? N3 C67 1.348(6) . ? N3 C71 1.350(6) . ? C3 C4 1.387(9) . ? Eu4 O62 2.299(12) . ? Eu4 O66 2.339(15) . ? Eu4 O70 2.361(5) . ? Eu4 O65 2.366(4) . ? Eu4 O64 2.370(4) . ? Eu4 O63 2.374(4) . ? Eu4 O67 2.407(12) . ? Eu4 O69 2.471(4) . ? Eu4 O62A 2.473(14) . ? Eu4 O71 2.493(5) . ? Eu4 O68 2.560(14) . ? S4 O13 1.426(6) . ? S4 O15 1.464(6) . ? S4 O14 1.473(5) . ? S4 C24 1.771(6) . ? O4 C6 1.340(6) . ? N4 O53 1.316(5) . ? N4 C74 1.330(7) . ? N4 C75 1.359(8) . ? C4 C5 1.394(8) . ? Eu5 O78 1.94(4) . ? Eu5 O81 2.30(3) . ? Eu5 O79 2.39(5) . ? Eu5 O33 2.429(6) . ? Eu5 O84 2.468(12) . ? Eu5 O80 2.471(18) . ? Eu5 O82 2.503(12) . ? Eu5 O83 2.539(18) . ? Eu5 O75 2.56(2) . ? Eu5 O77 2.65(5) . ? Eu5 O76 2.80(3) . ? S5 O23 1.328(11) . ? S5 O22 1.349(18) . ? S5 O19 1.373(16) . ? S5 O18 1.440(18) . ? S5 O24 1.446(14) . ? S5 O21 1.48(2) . ? S5 O17 1.53(2) . ? S5 O20 1.612(13) . ? S5 O25 1.668(14) . ? S5 C31 1.766(6) . ? N5 O58 1.342(10) . ? N5 C81 1.353(13) . ? N5 C77 1.356(17) . ? C5 C6 1.407(8) . ? C5 C7 1.495(9) . ? S6 O28 1.28(6) . ? S6 O31 1.440(7) . ? S6 O30 1.462(9) . ? S6 O29 1.49(3) . ? S6 O27 1.58(3) . ? S6 C38 1.761(7) . ? N6 C84 1.263(13) . ? N6 C85 1.34(2) . ? N6 O62 1.430(13) . ? S7 O34 1.30(2) . ? S7 O38 1.38(2) . ? S7 O37 1.413(7) . ? S7 O35 1.457(7) . ? S7 O33 1.499(6) . ? S7 O36 1.58(3) . ? S7 C45 1.781(6) . ? N7 O63 1.331(4) . ? N7 C91 1.332(6) . ? N7 C87 1.356(6) . ? C7 C8 1.521(8) . ? S8 O42 1.436(6) . ? S8 O41 1.458(6) . ? S8 O40 1.474(5) . ? S8 C52 1.759(6) . ? O8 C13 1.354(7) . ? N8 O64 1.322(5) . ? N8 C92 1.346(6) . ? N8 C96 1.367(6) . ? C8 C13 1.404(8) . ? C8 C9 1.412(8) . ? N9 C100 1.332(7) . ? N9 O72 1.337(5) . ? N9 C99 1.345(7) . ? C9 C10 1.380(9) . ? N10 O65 1.327(5) . ? N10 C106 1.344(6) . ? N10 C102 1.347(6) . ? C10 C11 1.393(8) . ? N11 O73 1.316(5) . ? N11 C107 1.348(6) . ? N11 C111 1.349(5) . ? C11 C12 1.384(9) . ? O12 C20 1.356(7) . ? N12 C114 1.328(8) . ? N12 O74 1.329(6) . ? N12 C115 1.341(7) . ? C12 C13 1.405(9) . ? C12 C14 1.515(8) . ? O14 Eu3 2.304(5) 1_556 ? O14 Eu2 2.427(5) 1_556 ? C14 C15 1.528(9) . ? C15 C16 1.393(8) . ? C15 C20 1.406(9) . ? O16 C27 1.346(7) . ? C16 C17 1.393(9) . ? C17 C18 1.384(9) . ? C18 C19 1.389(8) . ? C19 C20 1.408(9) . ? C19 C21 1.515(9) . ? C21 C22 1.509(8) . ? C22 C23 1.393(8) . ? C22 C27 1.406(9) . ? C23 C24 1.371(9) . ? C24 C25 1.387(9) . ? C25 C26 1.384(8) . ? O26 C34 1.348(6) . ? C26 C27 1.413(8) . ? C26 C28 1.505(8) . ? C28 C29 1.508(8) . ? C29 C30 1.385(8) . ? C29 C34 1.415(8) . ? C30 C31 1.387(9) . ? C31 C32 1.385(8) . ? O32 C41 1.341(7) . ? C32 C33 1.398(7) . ? C33 C34 1.406(8) . ? C33 C35 1.508(7) . ? C35 C36 1.525(7) . ? C36 C37 1.389(8) . ? C36 C41 1.409(7) . ? C37 C38 1.398(8) . ? C38 C39 1.379(9) . ? O39 C48 1.367(7) . ? C39 C40 1.397(10) . ? C40 C41 1.408(8) . ? C40 C42 1.504(9) . ? C42 C43 1.532(8) . ? O43 C55 1.342(6) . ? C43 C48 1.398(9) . ? C43 C44 1.409(9) . ? C44 C45 1.371(8) . ? C45 C46 1.388(8) . ? C46 C47 1.395(8) . ? C47 C48 1.391(9) . ? C47 C49 1.531(8) . ? C49 C50 1.504(8) . ? C50 C51 1.395(9) . ? C50 C55 1.409(6) . ? C51 C52 1.389(6) . ? C52 C53 1.382(8) . ? C53 C54 1.394(8) . ? C54 C55 1.409(8) . ? C54 C56 1.513(8) . ? C57 C58 1.370(8) . ? C58 C59 1.395(8) . ? C59 C60 1.398(8) . ? C59 C59 1.485(11) 2_656 ? C60 C61 1.357(8) . ? C62 C63 1.374(9) . ? C63 C64 1.398(9) . ? C64 C65 1.382(8) . ? C64 C64 1.458(12) 2_665 ? C65 C66 1.384(10) . ? C67 C68 1.365(8) . ? C68 C69 1.397(8) . ? C69 C70 1.391(8) . ? C69 C72 1.479(7) . ? C70 C71 1.374(8) . ? C72 C73 1.397(8) . ? C72 C76 1.398(8) . ? C73 C74 1.389(8) . ? C75 C76 1.354(9) . ? C77 C78 1.41(2) . ? C78 C79 1.420(18) . ? C79 C80 1.376(18) . ? C79 C82 1.438(16) . ? C80 C81 1.319(18) . ? C82 C86 1.375(18) . ? C82 C83 1.432(17) . ? C83 C84 1.307(18) . ? C85 C86 1.31(2) . ? C87 C88 1.370(8) . ? C88 C89 1.404(8) . ? C89 C90 1.388(7) . ? C89 C89 1.464(10) 2_554 ? C90 C91 1.369(8) . ? C92 C93 1.374(8) . ? C93 C94 1.378(8) . ? C94 C95 1.395(8) . ? C94 C97 1.484(8) . ? C95 C96 1.356(9) . ? C97 C101 1.385(8) . ? C97 C98 1.400(8) . ? C98 C99 1.364(9) . ? C100 C101 1.390(9) . ? C102 C103 1.376(8) . ? C103 C104 1.399(7) . ? C104 C105 1.379(8) . ? C104 C104 1.483(11) 2_563 ? C105 C106 1.378(9) . ? C107 C108 1.366(9) . ? C108 C109 1.390(8) . ? C109 C110 1.392(7) . ? C109 C112 1.466(8) . ? C110 C111 1.390(8) . ? C112 C113 1.390(8) . ? C112 C116 1.413(9) . ? C113 C114 1.394(10) . ? C115 C116 1.375(9) . ? 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 O45 Eu1 O51 73.42(15) . . ? O45 Eu1 O47 137.85(17) . . ? O51 Eu1 O47 130.91(16) . . ? O45 Eu1 O48 90.53(18) . . ? O51 Eu1 O48 72.28(16) . . ? O47 Eu1 O48 71.39(15) . . ? O45 Eu1 O50 147.04(16) . . ? O51 Eu1 O50 76.99(16) . . ? O47 Eu1 O50 73.88(17) . . ? O48 Eu1 O50 94.07(16) . . ? O45 Eu1 O46 67.74(16) . . ? O51 Eu1 O46 131.38(15) . . ? O47 Eu1 O46 71.67(16) . . ? O48 Eu1 O46 79.85(16) . . ? O50 Eu1 O46 145.15(16) . . ? O45 Eu1 O49 106.60(16) . . ? O51 Eu1 O49 143.74(15) . . ? O47 Eu1 O49 74.01(15) . . ? O48 Eu1 O49 142.86(15) . . ? O50 Eu1 O49 88.94(16) . . ? O46 Eu1 O49 76.86(15) . . ? O45 Eu1 O52 82.37(18) . . ? O51 Eu1 O52 75.63(16) . . ? O47 Eu1 O52 132.05(16) . . ? O48 Eu1 O52 147.83(15) . . ? O50 Eu1 O52 76.48(16) . . ? O46 Eu1 O52 124.85(16) . . ? O49 Eu1 O52 68.59(15) . . ? O3 S1 O1 111.9(5) . . ? O3 S1 O2 111.9(5) . . ? O1 S1 O2 111.4(4) . . ? O3 S1 C3 106.7(4) . . ? O1 S1 C3 106.2(3) . . ? O2 S1 C3 108.4(3) . . ? S1 O1 Eu2 146.6(3) . . ? S1 O1 Eu3 146.3(4) . . ? Eu2 O1 Eu3 32.62(9) . . ? O44 N1 C57 120.4(4) . . ? O44 N1 C61 119.2(4) . . ? C57 N1 C61 120.4(4) . . ? C2 C1 C6 118.8(5) . . ? C2 C1 C56 120.1(5) . . ? C6 C1 C56 121.1(4) . . ? O55 Eu2 O53 79.3(2) . . ? O55 Eu2 O1 83.16(18) . . ? O53 Eu2 O1 71.96(13) . . ? O55 Eu2 O58 103.6(3) . . ? O53 Eu2 O58 146.8(2) . . ? O1 Eu2 O58 141.1(2) . . ? O55 Eu2 O61 145.6(3) . . ? O53 Eu2 O61 121.6(2) . . ? O1 Eu2 O61 79.1(2) . . ? O58 Eu2 O61 74.3(3) . . ? O55 Eu2 O14 68.69(18) . 1_554 ? O53 Eu2 O14 76.95(12) . 1_554 ? O1 Eu2 O14 141.28(18) . 1_554 ? O58 Eu2 O14 73.6(2) . 1_554 ? O61 Eu2 O14 138.3(2) . 1_554 ? O55 Eu2 O60 141.9(3) . . ? O53 Eu2 O60 71.1(3) . . ? O1 Eu2 O60 108.9(2) . . ? O58 Eu2 O60 89.4(3) . . ? O61 Eu2 O60 72.3(3) . . ? O14 Eu2 O60 81.4(2) 1_554 . ? O55 Eu2 O57 71.4(3) . . ? O53 Eu2 O57 136.3(2) . . ? O1 Eu2 O57 72.9(2) . . ? O58 Eu2 O57 73.3(3) . . ? O61 Eu2 O57 75.3(3) . . ? O14 Eu2 O57 119.0(2) 1_554 . ? O60 Eu2 O57 146.4(3) . . ? O7 S2 O5 117.3(5) . . ? O7 S2 O6 107.9(4) . . ? O5 S2 O6 110.5(4) . . ? O7 S2 C10 108.8(4) . . ? O5 S2 C10 105.4(3) . . ? O6 S2 C10 106.4(3) . . ? O45 N2 C66 119.1(5) . . ? O45 N2 C62 121.0(5) . . ? C66 N2 C62 119.9(4) . . ? C3 C2 C1 120.3(6) . . ? O14 Eu3 O59 71.6(3) 1_554 . ? O14 Eu3 O54 137.4(11) 1_554 . ? O59 Eu3 O54 150.7(11) . . ? O14 Eu3 O57 126.5(2) 1_554 . ? O59 Eu3 O57 79.1(4) . . ? O54 Eu3 O57 82.7(11) . . ? O14 Eu3 O53 75.84(13) 1_554 . ? O59 Eu3 O53 65.9(3) . . ? O54 Eu3 O53 111.2(11) . . ? O57 Eu3 O53 129.7(2) . . ? O14 Eu3 O1 132.2(2) 1_554 . ? O59 Eu3 O1 68.3(3) . . ? O54 Eu3 O1 83.9(11) . . ? O57 Eu3 O1 69.3(2) . . ? O53 Eu3 O1 64.86(14) . . ? O14 Eu3 O56 68.9(2) 1_554 . ? O59 Eu3 O56 136.2(4) . . ? O54 Eu3 O56 69.7(11) . . ? O57 Eu3 O56 141.3(3) . . ? O53 Eu3 O56 86.5(3) . . ? O1 Eu3 O56 130.8(2) . . ? O10 S3 O9 108.6(6) . . ? O10 S3 O11 113.4(6) . . ? O9 S3 O11 113.5(5) . . ? O10 S3 C17 106.5(5) . . ? O9 S3 C17 107.2(4) . . ? O11 S3 C17 107.3(4) . . ? O51 N3 C67 119.9(4) . . ? O51 N3 C71 119.5(4) . . ? C67 N3 C71 120.6(4) . . ? C2 C3 C4 120.9(5) . . ? C2 C3 S1 119.0(5) . . ? C4 C3 S1 119.9(5) . . ? O62 Eu4 O66 60.1(5) . . ? O62 Eu4 O70 140.5(3) . . ? O66 Eu4 O70 108.4(5) . . ? O62 Eu4 O65 74.2(3) . . ? O66 Eu4 O65 83.1(4) . . ? O70 Eu4 O65 144.96(16) . . ? O62 Eu4 O64 133.5(3) . . ? O66 Eu4 O64 147.7(4) . . ? O70 Eu4 O64 77.83(18) . . ? O65 Eu4 O64 76.05(15) . . ? O62 Eu4 O63 81.8(3) . . ? O66 Eu4 O63 137.3(4) . . ? O70 Eu4 O63 88.23(17) . . ? O65 Eu4 O63 105.84(15) . . ? O64 Eu4 O63 73.06(14) . . ? O62 Eu4 O67 74.1(5) . . ? O66 Eu4 O67 16.0(4) . . ? O70 Eu4 O67 92.6(4) . . ? O65 Eu4 O67 94.6(4) . . ? O64 Eu4 O67 143.3(3) . . ? O63 Eu4 O67 142.7(3) . . ? O62 Eu4 O69 69.1(3) . . ? O66 Eu4 O69 73.9(4) . . ? O70 Eu4 O69 71.41(18) . . ? O65 Eu4 O69 142.82(16) . . ? O64 Eu4 O69 135.67(14) . . ? O63 Eu4 O69 74.83(14) . . ? O67 Eu4 O69 70.2(3) . . ? O62 Eu4 O62A 16.9(4) . . ? O66 Eu4 O62A 76.6(6) . . ? O70 Eu4 O62A 143.6(3) . . ? O65 Eu4 O62A 70.6(3) . . ? O64 Eu4 O62A 117.7(4) . . ? O63 Eu4 O62A 67.9(4) . . ? O67 Eu4 O62A 91.0(5) . . ? O69 Eu4 O62A 75.8(4) . . ? O62 Eu4 O71 131.3(3) . . ? O66 Eu4 O71 78.7(4) . . ? O70 Eu4 O71 74.02(16) . . ? O65 Eu4 O71 76.14(15) . . ? O64 Eu4 O71 72.60(15) . . ? O63 Eu4 O71 143.90(15) . . ? O67 Eu4 O71 70.7(3) . . ? O69 Eu4 O71 125.53(16) . . ? O62A Eu4 O71 140.4(3) . . ? O62 Eu4 O68 87.2(5) . . ? O66 Eu4 O68 30.5(5) . . ? O70 Eu4 O68 78.5(4) . . ? O65 Eu4 O68 104.4(4) . . ? O64 Eu4 O68 134.8(4) . . ? O63 Eu4 O68 143.4(3) . . ? O67 Eu4 O68 14.4(4) . . ? O69 Eu4 O68 68.7(3) . . ? O62A Eu4 O68 104.1(5) . . ? O71 Eu4 O68 64.1(3) . . ? O13 S4 O15 114.5(4) . . ? O13 S4 O14 110.7(4) . . ? O15 S4 O14 110.6(3) . . ? O13 S4 C24 107.9(3) . . ? O15 S4 C24 106.5(3) . . ? O14 S4 C24 106.2(3) . . ? O53 N4 C74 119.8(4) . . ? O53 N4 C75 119.9(4) . . ? C74 N4 C75 120.2(4) . . ? C3 C4 C5 120.0(6) . . ? O78 Eu5 O81 82.5(13) . . ? O78 Eu5 O79 27.7(16) . . ? O81 Eu5 O79 60.1(15) . . ? O78 Eu5 O33 133.6(10) . . ? O81 Eu5 O33 99.9(7) . . ? O79 Eu5 O33 117.3(13) . . ? O78 Eu5 O84 124.4(11) . . ? O81 Eu5 O84 127.9(8) . . ? O79 Eu5 O84 150.5(14) . . ? O33 Eu5 O84 90.6(3) . . ? O78 Eu5 O80 75.4(12) . . ? O81 Eu5 O80 76.2(10) . . ? O79 Eu5 O80 86.5(14) . . ? O33 Eu5 O80 150.6(5) . . ? O84 Eu5 O80 70.7(6) . . ? O78 Eu5 O82 137.1(11) . . ? O81 Eu5 O82 62.0(8) . . ? O79 Eu5 O82 121.6(13) . . ? O33 Eu5 O82 79.1(2) . . ? O84 Eu5 O82 70.5(4) . . ? O80 Eu5 O82 73.4(6) . . ? O78 Eu5 O83 89.6(11) . . ? O81 Eu5 O83 33.7(8) . . ? O79 Eu5 O83 62.0(14) . . ? O33 Eu5 O83 71.5(4) . . ? O84 Eu5 O83 143.0(5) . . ? O80 Eu5 O83 109.9(7) . . ? O82 Eu5 O83 74.4(4) . . ? O78 Eu5 O75 64.4(12) . . ? O81 Eu5 O75 93.7(10) . . ? O79 Eu5 O75 55.6(14) . . ? O33 Eu5 O75 69.2(7) . . ? O84 Eu5 O75 137.0(7) . . ? O80 Eu5 O75 139.5(8) . . ? O82 Eu5 O75 135.9(7) . . ? O83 Eu5 O75 67.1(8) . . ? O78 Eu5 O77 4.6(15) . . ? O81 Eu5 O77 87.2(12) . . ? O79 Eu5 O77 31.7(16) . . ? O33 Eu5 O77 133.1(9) . . ? O84 Eu5 O77 121.1(10) . . ? O80 Eu5 O77 76.2(10) . . ? O82 Eu5 O77 140.8(9) . . ? O83 Eu5 O77 93.6(10) . . ? O75 Eu5 O77 64.1(11) . . ? O78 Eu5 O76 84.5(11) . . ? O81 Eu5 O76 159.3(8) . . ? O79 Eu5 O76 102.3(13) . . ? O33 Eu5 O76 77.8(3) . . ? O84 Eu5 O76 72.8(4) . . ? O80 Eu5 O76 115.8(7) . . ? O82 Eu5 O76 135.9(4) . . ? O83 Eu5 O76 130.5(5) . . ? O75 Eu5 O76 66.2(8) . . ? O77 Eu5 O76 80.1(9) . . ? O23 S5 O22 66.6(10) . . ? O23 S5 O19 131.8(9) . . ? O22 S5 O19 123.6(11) . . ? O23 S5 O18 121.9(10) . . ? O22 S5 O18 133.3(13) . . ? O19 S5 O18 14.2(12) . . ? O23 S5 O24 21.3(7) . . ? O22 S5 O24 87.9(11) . . ? O19 S5 O24 121.0(10) . . ? O18 S5 O24 108.1(12) . . ? O23 S5 O21 81.7(12) . . ? O22 S5 O21 16.7(12) . . ? O19 S5 O21 108.7(12) . . ? O18 S5 O21 120.2(14) . . ? O24 S5 O21 103.0(12) . . ? O23 S5 O17 120.0(12) . . ? O22 S5 O17 144.2(12) . . ? O19 S5 O17 23.7(11) . . ? O18 S5 O17 11.1(15) . . ? O24 S5 O17 103.2(12) . . ? O21 S5 O17 131.3(13) . . ? O23 S5 O20 106.3(8) . . ? O22 S5 O20 43.4(9) . . ? O19 S5 O20 84.3(9) . . ? O18 S5 O20 97.4(12) . . ? O24 S5 O20 126.7(9) . . ? O21 S5 O20 26.7(8) . . ? O17 S5 O20 107.9(10) . . ? O23 S5 O25 39.3(7) . . ? O22 S5 O25 105.7(10) . . ? O19 S5 O25 111.4(9) . . ? O18 S5 O25 97.3(11) . . ? O24 S5 O25 18.1(7) . . ? O21 S5 O25 121.1(11) . . ? O17 S5 O25 90.2(11) . . ? O20 S5 O25 144.4(7) . . ? O23 S5 C31 112.0(5) . . ? O22 S5 C31 104.6(8) . . ? O19 S5 C31 109.7(8) . . ? O18 S5 C31 111.3(8) . . ? O24 S5 C31 107.3(6) . . ? O21 S5 C31 106.1(8) . . ? O17 S5 C31 104.2(10) . . ? O20 S5 C31 105.5(5) . . ? O25 S5 C31 99.0(5) . . ? O58 N5 C81 120.2(8) . . ? O58 N5 C77 119.0(8) . . ? C81 N5 C77 120.7(9) . . ? C4 C5 C6 119.4(6) . . ? C4 C5 C7 119.9(5) . . ? C6 C5 C7 120.6(5) . . ? O28 S6 O31 110.1(15) . . ? O28 S6 O30 117.3(19) . . ? O31 S6 O30 108.6(5) . . ? O28 S6 O29 18(2) . . ? O31 S6 O29 125.9(14) . . ? O30 S6 O29 101.2(18) . . ? O28 S6 O27 17(2) . . ? O31 S6 O27 96.4(15) . . ? O30 S6 O27 134.0(15) . . ? O29 S6 O27 35(3) . . ? O28 S6 C38 108(2) . . ? O31 S6 C38 107.1(4) . . ? O30 S6 C38 105.2(4) . . ? O29 S6 C38 107.1(14) . . ? O27 S6 C38 103.3(14) . . ? C84 N6 C85 112.7(11) . . ? C84 N6 O62 120.6(10) . . ? C85 N6 O62 125.1(11) . . ? O4 C6 C5 119.6(5) . . ? O4 C6 C1 120.2(5) . . ? C5 C6 C1 120.2(5) . . ? O34 S7 O38 141.5(18) . . ? O34 S7 O37 140.6(12) . . ? O38 S7 O37 36.6(14) . . ? O34 S7 O35 40.8(16) . . ? O38 S7 O35 142.5(13) . . ? O37 S7 O35 112.0(6) . . ? O34 S7 O33 69.4(18) . . ? O38 S7 O33 80.6(16) . . ? O37 S7 O33 112.8(5) . . ? O35 S7 O33 108.1(5) . . ? O34 S7 O36 96(2) . . ? O38 S7 O36 101.3(18) . . ? O37 S7 O36 64.6(10) . . ? O35 S7 O36 55.2(12) . . ? O33 S7 O36 153.9(11) . . ? O34 S7 C45 107.6(10) . . ? O38 S7 C45 103.7(10) . . ? O37 S7 C45 108.9(4) . . ? O35 S7 C45 108.0(4) . . ? O33 S7 C45 106.8(3) . . ? O36 S7 C45 98.1(9) . . ? O63 N7 C91 119.6(3) . . ? O63 N7 C87 118.7(4) . . ? C91 N7 C87 121.6(3) . . ? C5 C7 C8 113.4(5) . . ? O42 S8 O41 112.6(4) . . ? O42 S8 O40 112.2(3) . . ? O41 S8 O40 111.1(4) . . ? O42 S8 C52 108.8(3) . . ? O41 S8 C52 106.3(2) . . ? O40 S8 C52 105.4(2) . . ? O64 N8 C92 122.0(3) . . ? O64 N8 C96 118.8(3) . . ? C92 N8 C96 119.2(4) . . ? C13 C8 C9 118.4(5) . . ? C13 C8 C7 122.0(5) . . ? C9 C8 C7 119.5(5) . . ? C100 N9 O72 120.7(4) . . ? C100 N9 C99 120.0(4) . . ? O72 N9 C99 119.3(4) . . ? C10 C9 C8 120.3(5) . . ? O65 N10 C106 119.2(3) . . ? O65 N10 C102 119.8(3) . . ? C106 N10 C102 121.0(4) . . ? C9 C10 C11 120.3(6) . . ? C9 C10 S2 120.7(5) . . ? C11 C10 S2 118.5(5) . . ? O73 N11 C107 120.4(3) . . ? O73 N11 C111 120.1(3) . . ? C107 N11 C111 119.6(4) . . ? C12 C11 C10 121.0(6) . . ? C114 N12 O74 118.4(4) . . ? C114 N12 C115 121.8(4) . . ? O74 N12 C115 119.8(5) . . ? C11 C12 C13 118.7(6) . . ? C11 C12 C14 121.4(6) . . ? C13 C12 C14 119.9(6) . . ? O8 C13 C8 120.0(5) . . ? O8 C13 C12 119.0(5) . . ? C8 C13 C12 121.0(5) . . ? S4 O14 Eu3 149.9(3) . 1_556 ? S4 O14 Eu2 147.5(3) . 1_556 ? Eu3 O14 Eu2 34.90(9) 1_556 1_556 ? C12 C14 C15 110.4(5) . . ? C16 C15 C20 118.7(6) . . ? C16 C15 C14 120.1(6) . . ? C20 C15 C14 121.2(5) . . ? C17 C16 C15 120.8(6) . . ? C18 C17 C16 119.9(6) . . ? C18 C17 S3 119.5(5) . . ? C16 C17 S3 120.6(5) . . ? C17 C18 C19 121.0(6) . . ? C18 C19 C20 118.8(6) . . ? C18 C19 C21 118.8(6) . . ? C20 C19 C21 122.4(6) . . ? O12 C20 C15 116.5(6) . . ? O12 C20 C19 122.9(6) . . ? C15 C20 C19 120.7(5) . . ? C22 C21 C19 115.4(5) . . ? C23 C22 C27 119.6(6) . . ? C23 C22 C21 120.5(6) . . ? C27 C22 C21 119.8(5) . . ? C24 C23 C22 120.1(6) . . ? C23 C24 C25 120.7(5) . . ? C23 C24 S4 120.5(5) . . ? C25 C24 S4 118.8(5) . . ? C26 C25 C24 121.0(6) . . ? C25 C26 C27 118.6(6) . . ? C25 C26 C28 121.7(5) . . ? C27 C26 C28 119.7(5) . . ? O16 C27 C22 119.6(5) . . ? O16 C27 C26 120.4(6) . . ? C22 C27 C26 119.9(5) . . ? C26 C28 C29 113.9(5) . . ? C30 C29 C34 119.2(5) . . ? C30 C29 C28 120.6(5) . . ? C34 C29 C28 120.2(5) . . ? C29 C30 C31 120.8(5) . . ? C32 C31 C30 120.1(5) . . ? C32 C31 S5 119.6(5) . . ? C30 C31 S5 120.1(4) . . ? C31 C32 C33 120.9(5) . . ? S7 O33 Eu5 138.2(4) . . ? C32 C33 C34 118.7(5) . . ? C32 C33 C35 120.5(5) . . ? C34 C33 C35 120.8(5) . . ? O26 C34 C33 117.9(5) . . ? O26 C34 C29 121.8(5) . . ? C33 C34 C29 120.2(5) . . ? C33 C35 C36 114.1(4) . . ? C37 C36 C41 118.9(5) . . ? C37 C36 C35 119.7(5) . . ? C41 C36 C35 121.4(5) . . ? C36 C37 C38 120.7(5) . . ? C39 C38 C37 120.2(6) . . ? C39 C38 S6 119.2(5) . . ? C37 C38 S6 120.6(5) . . ? C38 C39 C40 120.7(6) . . ? C39 C40 C41 119.0(5) . . ? C39 C40 C42 119.8(6) . . ? C41 C40 C42 121.3(6) . . ? O32 C41 C40 118.3(5) . . ? O32 C41 C36 121.2(5) . . ? C40 C41 C36 120.5(5) . . ? C40 C42 C43 113.4(5) . . ? C48 C43 C44 118.8(5) . . ? C48 C43 C42 121.7(6) . . ? C44 C43 C42 119.5(6) . . ? C45 C44 C43 120.3(6) . . ? N2 O45 Eu1 129.0(4) . . ? C44 C45 C46 120.5(5) . . ? C44 C45 S7 120.2(5) . . ? C46 C45 S7 119.2(4) . . ? C45 C46 C47 120.3(5) . . ? C48 C47 C46 119.2(6) . . ? C48 C47 C49 123.1(5) . . ? C46 C47 C49 117.6(5) . . ? O39 C48 C47 122.2(6) . . ? O39 C48 C43 117.3(6) . . ? C47 C48 C43 120.6(5) . . ? C50 C49 C47 115.3(5) . . ? C51 C50 C55 119.1(5) . . ? C51 C50 C49 120.5(5) . . ? C55 C50 C49 120.4(5) . . ? N3 O51 Eu1 135.2(3) . . ? C52 C51 C50 120.8(5) . . ? C53 C52 C51 120.1(5) . . ? C53 C52 S8 120.0(5) . . ? C51 C52 S8 119.9(4) . . ? N4 O53 Eu2 129.7(3) . . ? N4 O53 Eu3 123.3(3) . . ? Eu2 O53 Eu3 33.69(7) . . ? C52 C53 C54 120.7(6) . . ? C53 C54 C55 119.4(5) . . ? C53 C54 C56 119.7(5) . . ? C55 C54 C56 120.9(5) . . ? O43 C55 C54 121.1(5) . . ? O43 C55 C50 119.1(4) . . ? C54 C55 C50 119.9(5) . . ? C1 C56 C54 113.6(4) . . ? Eu3 O57 Eu2 33.21(12) . . ? N1 C57 C58 121.0(5) . . ? N5 O58 Eu2 126.8(5) . . ? C57 C58 C59 120.1(5) . . ? C58 C59 C60 117.0(5) . . ? C58 C59 C59 121.1(6) . 2_656 ? C60 C59 C59 121.9(6) . 2_656 ? C61 C60 C59 121.2(5) . . ? N1 C61 C60 120.2(5) . . ? N6 O62 Eu4 147.4(8) . . ? N2 C62 C63 120.6(5) . . ? N7 O63 Eu4 130.6(3) . . ? C62 C63 C64 121.1(6) . . ? N8 O64 Eu4 139.4(3) . . ? C65 C64 C63 116.4(6) . . ? C65 C64 C64 121.5(7) . 2_665 ? C63 C64 C64 122.0(7) . 2_665 ? N10 O65 Eu4 127.6(3) . . ? C64 C65 C66 120.8(7) . . ? N2 C66 C65 121.0(6) . . ? N3 C67 C68 120.5(5) . . ? C67 C68 C69 120.9(5) . . ? C70 C69 C68 116.9(5) . . ? C70 C69 C72 121.6(5) . . ? C68 C69 C72 121.5(5) . . ? C71 C70 C69 120.8(5) . . ? N3 C71 C70 120.3(5) . . ? C73 C72 C76 116.4(5) . . ? C73 C72 C69 121.8(5) . . ? C76 C72 C69 121.8(5) . . ? C74 C73 C72 120.4(6) . . ? N4 C74 C73 120.9(6) . . ? C76 C75 N4 120.8(6) . . ? C75 C76 C72 121.4(6) . . ? N5 C77 C78 117.8(14) . . ? C77 C78 C79 122.7(14) . . ? C80 C79 C78 112.4(12) . . ? C80 C79 C82 127.9(12) . . ? C78 C79 C82 119.6(12) . . ? C81 C80 C79 126.2(14) . . ? C80 C81 N5 120.1(12) . . ? C86 C82 C83 117.4(12) . . ? C86 C82 C79 123.9(12) . . ? C83 C82 C79 118.6(11) . . ? C84 C83 C82 120.9(13) . . ? N6 C84 C83 123.2(12) . . ? C86 C85 N6 134(2) . . ? C85 C86 C82 110.2(16) . . ? N7 C87 C88 119.1(5) . . ? C87 C88 C89 121.6(5) . . ? C90 C89 C88 116.0(5) . . ? C90 C89 C89 122.8(6) . 2_554 ? C88 C89 C89 121.2(6) . 2_554 ? C91 C90 C89 121.6(5) . . ? N7 C91 C90 120.2(5) . . ? N8 C92 C93 121.2(5) . . ? C92 C93 C94 121.0(5) . . ? C93 C94 C95 116.4(5) . . ? C93 C94 C97 120.8(5) . . ? C95 C94 C97 122.8(5) . . ? C96 C95 C94 121.7(5) . . ? C95 C96 N8 120.4(5) . . ? C101 C97 C98 116.3(5) . . ? C101 C97 C94 122.1(5) . . ? C98 C97 C94 121.6(5) . . ? C99 C98 C97 120.6(6) . . ? N9 C99 C98 121.5(6) . . ? N9 C100 C101 120.4(5) . . ? C97 C101 C100 121.2(6) . . ? N10 C102 C103 119.6(5) . . ? C102 C103 C104 121.6(5) . . ? C105 C104 C103 116.2(5) . . ? C105 C104 C104 122.3(6) . 2_563 ? C103 C104 C104 121.5(6) . 2_563 ? C106 C105 C104 121.6(5) . . ? N10 C106 C105 120.0(5) . . ? N11 C107 C108 121.3(5) . . ? C107 C108 C109 121.1(6) . . ? C108 C109 C110 116.6(5) . . ? C108 C109 C112 121.2(5) . . ? C110 C109 C112 122.2(5) . . ? C111 C110 C109 120.5(5) . . ? N11 C111 C110 120.6(5) . . ? C113 C112 C116 117.5(6) . . ? C113 C112 C109 119.9(6) . . ? C116 C112 C109 122.6(5) . . ? C112 C113 C114 120.0(7) . . ? N12 C114 C113 120.3(5) . . ? N12 C115 C116 120.6(6) . . ? C115 C116 C112 119.8(6) . . ? _diffrn_measured_fraction_theta_max 0.973 _diffrn_reflns_theta_full 27.50 _diffrn_measured_fraction_theta_full 0.973 _refine_diff_density_max 2.725 _refine_diff_density_min -3.103 _refine_diff_density_rms 0.168