data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'A. Amoroso' _publ_contact_author_address ; Department of Chemistry Cardiff University of Wales Main Building Park Place Cardiff CF10 3AT UNITED KINGDOM ; _publ_contact_author_email AMOROSOAJ@CF.AC.UK _publ_section_title ; The synthesis and characterisation of Europium Terpyridine-N-Oxide Complexes ; loop_ _publ_author_name A.Amoroso M.W.Burrows R.Haigh M.Hatcher M.Jones U.Kynast ; K.M.A.Malik ; D.Sendor data_s921 _database_code_depnum_ccdc_archive 'CCDC 631769' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C47 H36 Cl3 Eu N10 O15' _chemical_formula_weight 1239.17 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' Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 '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 14.013(2) _cell_length_b 18.013(2) _cell_length_c 21.635(3) _cell_angle_alpha 74.250(10) _cell_angle_beta 81.170(10) _cell_angle_gamma 76.990(10) _cell_volume 5096.2(12) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 32107 _cell_measurement_theta_min 2.91 _cell_measurement_theta_max 27.48 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.07 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.615 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2488 _exptl_absorpt_coefficient_mu 1.466 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_process_details 'Sortav (Blessing, 1995)' _exptl_absorpt_correction_T_min 0.690 _exptl_absorpt_correction_T_max 0.806 _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Kappa CCD' _diffrn_measurement_method CCD _diffrn_detector_area_resol_mean 9 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 53920 _diffrn_reflns_av_R_equivalents 0.0430 _diffrn_reflns_av_sigmaI/netI 0.0491 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_theta_min 2.93 _diffrn_reflns_theta_max 27.46 _reflns_number_total 22212 _reflns_number_gt 17984 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect (Nonius BV, 1997-2000)' _computing_cell_refinement ; HKL Scalepack (Otwinowski & Minor, 1997) ; _computing_data_reduction ; HKL Denzo & Scalepack (Otwinowski, 1997) ; _computing_structure_solution 'SHELXL-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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. ; _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^)+(0.0576P)^2^+0.0000P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 22212 _refine_ls_number_parameters 1371 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0484 _refine_ls_R_factor_gt 0.0362 _refine_ls_wR_factor_ref 0.1003 _refine_ls_wR_factor_gt 0.0960 _refine_ls_goodness_of_fit_ref 1.075 _refine_ls_restrained_S_all 1.075 _refine_ls_shift/su_max 0.008 _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 Cl1 Cl 0.78548(6) 0.76598(5) 0.04276(4) 0.02944(18) Uani 1 1 d . . . Cl2 Cl 0.22865(6) 0.82999(4) 0.60414(4) 0.02850(17) Uani 1 1 d . . . Cl3 Cl -0.21296(6) 1.02293(5) 0.11313(4) 0.02835(17) Uani 1 1 d . . . Cl4 Cl -0.19750(7) 0.42316(6) 1.10284(4) 0.0409(2) Uani 1 1 d . . . Cl5 Cl 0.25669(7) 0.48355(7) 0.62133(5) 0.0541(3) Uani 1 1 d . . . Cl6 Cl 0.23649(7) 1.19067(5) 0.49424(5) 0.0474(3) Uani 1 1 d . . . Eu1 Eu 0.298651(10) 0.952627(8) 0.271574(6) 0.01586(5) Uani 1 1 d . . . Eu2 Eu -0.313152(10) 0.578991(8) 0.777461(7) 0.01687(5) Uani 1 1 d . . . O1 O 0.30232(15) 0.86651(12) 0.37423(9) 0.0225(5) Uani 1 1 d . . . O2 O 0.38550(15) 1.00269(12) 0.17271(9) 0.0207(4) Uani 1 1 d . . . O3 O 0.32703(16) 0.83491(12) 0.24258(10) 0.0274(5) Uani 1 1 d . . . O4 O -0.36083(15) 0.65908(12) 0.67929(9) 0.0229(5) Uani 1 1 d . . . O5 O -0.36468(15) 0.51283(12) 0.88391(9) 0.0222(5) Uani 1 1 d . . . O6 O -0.35237(15) 0.47209(12) 0.75465(10) 0.0259(5) Uani 1 1 d . . . O7 O 0.88489(17) 0.73931(16) 0.01973(12) 0.0413(6) Uani 1 1 d . . . O8 O 0.7507(2) 0.70330(18) 0.08903(16) 0.0690(10) Uani 1 1 d . . . O9 O 0.72449(19) 0.79152(18) -0.00961(13) 0.0529(8) Uani 1 1 d . . . O10 O 0.7812(2) 0.82982(18) 0.07090(15) 0.0580(8) Uani 1 1 d . . . O11 O 0.32839(17) 0.78941(15) 0.59991(13) 0.0424(6) Uani 1 1 d . . . O12 O 0.22471(19) 0.90450(14) 0.61672(12) 0.0414(6) Uani 1 1 d . . . O13 O 0.18724(19) 0.84266(15) 0.54471(12) 0.0441(6) Uani 1 1 d . . . O14 O 0.17243(17) 0.78416(15) 0.65578(13) 0.0490(7) Uani 1 1 d . . . O15 O -0.14918(19) 1.04564(18) 0.05618(12) 0.0477(7) Uani 1 1 d . . . O16 O -0.22281(17) 1.07676(15) 0.15268(12) 0.0402(6) Uani 1 1 d . . . O17 O -0.17059(19) 0.94648(15) 0.14898(14) 0.0463(7) Uani 1 1 d . . . O18 O -0.30725(16) 1.02201(15) 0.09587(11) 0.0364(6) Uani 1 1 d . . . O19 O -0.2994(2) 0.4493(2) 1.10343(15) 0.0649(9) Uani 1 1 d . . . O20 O -0.1696(2) 0.35078(18) 1.14909(14) 0.0635(9) Uani 1 1 d . . . O21 O -0.1528(2) 0.41652(17) 1.04068(13) 0.0605(9) Uani 1 1 d . . . O22 O -0.1585(3) 0.4821(2) 1.12065(19) 0.0832(11) Uani 1 1 d . . . O23 O 0.35647(19) 0.48374(18) 0.59677(15) 0.0578(8) Uani 1 1 d . . . O24 O 0.2021(2) 0.4778(2) 0.57291(14) 0.0661(10) Uani 1 1 d . . . O25 O 0.2541(3) 0.4197(3) 0.67650(18) 0.1089(15) Uani 1 1 d . . . O26 O 0.2123(3) 0.5526(3) 0.6418(2) 0.1133(18) Uani 1 1 d . . . O27 O 0.13243(19) 1.21625(17) 0.49675(14) 0.0529(7) Uani 1 1 d . . . O28 O 0.2697(3) 1.16011(19) 0.43832(16) 0.0905(13) Uani 1 1 d . . . O29 O 0.2614(2) 1.12997(17) 0.55082(14) 0.0627(9) Uani 1 1 d . . . O30 O 0.2818(2) 1.25573(17) 0.4871(2) 0.0873(13) Uani 1 1 d . . . N1 N 0.19544(18) 1.09455(14) 0.23420(11) 0.0190(5) Uani 1 1 d . . . N2 N 0.20471(17) 1.02312(14) 0.36036(11) 0.0183(5) Uani 1 1 d . . . N3 N 0.35097(18) 0.88227(14) 0.41603(11) 0.0205(5) Uani 1 1 d . . . N4 N 0.41380(18) 0.96413(14) 0.12653(11) 0.0197(5) Uani 1 1 d . . . N5 N 0.20063(17) 0.96155(14) 0.17396(11) 0.0178(5) Uani 1 1 d . . . N6 N 0.12278(18) 0.92373(14) 0.29845(11) 0.0212(5) Uani 1 1 d . . . N7 N 0.3609(2) 0.76581(15) 0.28063(12) 0.0272(6) Uani 1 1 d . . . N8 N 0.48699(18) 0.87571(14) 0.28254(11) 0.0208(5) Uani 1 1 d . . . N9 N 0.41968(18) 1.02653(14) 0.29910(11) 0.0203(5) Uani 1 1 d . . . N10 N -0.38474(18) 0.63401(14) 0.63218(11) 0.0218(5) Uani 1 1 d . . . N11 N -0.19415(18) 0.53504(14) 0.68062(11) 0.0200(5) Uani 1 1 d . . . N12 N -0.15797(18) 0.47267(14) 0.80641(12) 0.0224(5) Uani 1 1 d . . . N13 N -0.41616(19) 0.55959(15) 0.92115(11) 0.0228(6) Uani 1 1 d . . . N14 N -0.22959(18) 0.61196(14) 0.86500(12) 0.0209(5) Uani 1 1 d . . . N15 N -0.17891(18) 0.66644(14) 0.73979(12) 0.0220(5) Uani 1 1 d . . . N16 N -0.41031(19) 0.42493(15) 0.79211(12) 0.0233(6) Uani 1 1 d . . . N17 N -0.50908(18) 0.58924(14) 0.78627(11) 0.0197(5) Uani 1 1 d . . . N18 N -0.42345(18) 0.70631(14) 0.80216(11) 0.0204(5) Uani 1 1 d . . . C1 C 0.1944(2) 1.13325(17) 0.17155(14) 0.0212(6) Uani 1 1 d . . . H1 H 0.2522 1.1233 0.1433 0.025 Uiso 1 1 calc R . . C2 C 0.1145(2) 1.18632(17) 0.14599(15) 0.0251(7) Uani 1 1 d . . . H2 H 0.1179 1.2134 0.1017 0.030 Uiso 1 1 calc R . . C3 C 0.0299(3) 1.19923(18) 0.18619(15) 0.0304(7) Uani 1 1 d . . . H3 H -0.0276 1.2336 0.1697 0.036 Uiso 1 1 calc R . . C4 C 0.0296(2) 1.16140(18) 0.25101(15) 0.0261(7) Uani 1 1 d . . . H4 H -0.0281 1.1697 0.2796 0.031 Uiso 1 1 calc R . . C5 C 0.1138(2) 1.11155(17) 0.27380(13) 0.0187(6) Uani 1 1 d . . . C6 C 0.1214(2) 1.07538(16) 0.34413(13) 0.0185(6) Uani 1 1 d . . . C7 C 0.0487(2) 1.09826(18) 0.39017(14) 0.0235(7) Uani 1 1 d . . . H7 H -0.0103 1.1337 0.3777 0.028 Uiso 1 1 calc R . . C8 C 0.0637(2) 1.06842(18) 0.45476(14) 0.0255(7) Uani 1 1 d . . . H8 H 0.0143 1.0822 0.4872 0.031 Uiso 1 1 calc R . . C9 C 0.1507(2) 1.01870(18) 0.47156(14) 0.0255(7) Uani 1 1 d . . . H9 H 0.1637 1.0000 0.5155 0.031 Uiso 1 1 calc R . . C10 C 0.2192(2) 0.99620(17) 0.42301(14) 0.0209(6) Uani 1 1 d . . . C11 C 0.3149(2) 0.94567(17) 0.44125(13) 0.0208(6) Uani 1 1 d . . . C12 C 0.3692(2) 0.96099(19) 0.48287(14) 0.0268(7) Uani 1 1 d . . . H12 H 0.3455 1.0052 0.5007 0.032 Uiso 1 1 calc R . . C13 C 0.4583(3) 0.9119(2) 0.49879(15) 0.0305(8) Uani 1 1 d . . . H13 H 0.4964 0.9233 0.5266 0.037 Uiso 1 1 calc R . . C14 C 0.4912(2) 0.8467(2) 0.47414(15) 0.0295(7) Uani 1 1 d . . . H14 H 0.5515 0.8122 0.4853 0.035 Uiso 1 1 calc R . . C15 C 0.4357(2) 0.83227(19) 0.43319(15) 0.0263(7) Uani 1 1 d . . . H15 H 0.4569 0.7868 0.4168 0.032 Uiso 1 1 calc R . . C16 C 0.5106(2) 0.94451(18) 0.10989(15) 0.0269(7) Uani 1 1 d . . . H16 H 0.5560 0.9575 0.1318 0.032 Uiso 1 1 calc R . . C17 C 0.5455(3) 0.90603(19) 0.06169(16) 0.0327(8) Uani 1 1 d . . . H17 H 0.6142 0.8919 0.0504 0.039 Uiso 1 1 calc R . . C18 C 0.4783(3) 0.88840(19) 0.02999(16) 0.0353(8) Uani 1 1 d . . . H18 H 0.5006 0.8616 -0.0033 0.042 Uiso 1 1 calc R . . C19 C 0.3789(2) 0.90978(18) 0.04685(14) 0.0276(7) Uani 1 1 d . . . H19 H 0.3327 0.8979 0.0250 0.033 Uiso 1 1 calc R . . C20 C 0.3459(2) 0.94889(17) 0.09598(14) 0.0210(6) Uani 1 1 d . . . C21 C 0.2391(2) 0.97675(17) 0.11164(14) 0.0210(6) Uani 1 1 d . . . C22 C 0.1837(2) 1.01314(19) 0.06050(15) 0.0270(7) Uani 1 1 d . . . H22 H 0.2142 1.0235 0.0175 0.032 Uiso 1 1 calc R . . C23 C 0.0831(2) 1.0342(2) 0.07293(16) 0.0329(8) Uani 1 1 d . . . H23 H 0.0431 1.0603 0.0387 0.039 Uiso 1 1 calc R . . C24 C 0.0414(2) 1.0166(2) 0.13617(15) 0.0294(7) Uani 1 1 d . . . H24 H -0.0277 1.0305 0.1459 0.035 Uiso 1 1 calc R . . C25 C 0.1013(2) 0.97847(17) 0.18517(14) 0.0209(6) Uani 1 1 d . . . C26 C 0.0587(2) 0.95204(18) 0.25263(14) 0.0226(6) Uani 1 1 d . . . C27 C -0.0415(3) 0.9526(2) 0.26776(17) 0.0398(9) Uani 1 1 d . . . H27 H -0.0856 0.9741 0.2353 0.048 Uiso 1 1 calc R . . C28 C -0.0763(3) 0.9212(2) 0.33109(17) 0.0427(10) Uani 1 1 d . . . H28 H -0.1447 0.9220 0.3425 0.051 Uiso 1 1 calc R . . C29 C -0.0116(3) 0.8893(2) 0.37661(16) 0.0324(8) Uani 1 1 d . . . H29 H -0.0337 0.8653 0.4196 0.039 Uiso 1 1 calc R . . C30 C 0.0867(2) 0.89228(19) 0.35909(15) 0.0278(7) Uani 1 1 d . . . H30 H 0.1312 0.8712 0.3913 0.033 Uiso 1 1 calc R . . C31 C 0.2982(3) 0.7151(2) 0.30522(16) 0.0321(8) Uani 1 1 d . . . H31 H 0.2303 0.7318 0.2990 0.038 Uiso 1 1 calc R . . C32 C 0.3326(3) 0.6398(2) 0.33907(17) 0.0356(8) Uani 1 1 d . . . H32 H 0.2889 0.6042 0.3561 0.043 Uiso 1 1 calc R . . C33 C 0.4309(3) 0.6164(2) 0.34811(17) 0.0380(9) Uani 1 1 d . . . H33 H 0.4559 0.5639 0.3703 0.046 Uiso 1 1 calc R . . C34 C 0.4925(3) 0.66912(19) 0.32487(16) 0.0335(8) Uani 1 1 d . . . H34 H 0.5601 0.6535 0.3319 0.040 Uiso 1 1 calc R . . C35 C 0.4566(2) 0.74544(18) 0.29101(15) 0.0256(7) Uani 1 1 d . . . C36 C 0.5204(2) 0.80474(18) 0.26941(15) 0.0247(7) Uani 1 1 d . . . C37 C 0.6150(3) 0.7831(2) 0.24274(17) 0.0345(8) Uani 1 1 d . . . H37 H 0.6354 0.7332 0.2329 0.041 Uiso 1 1 calc R . . C38 C 0.6795(3) 0.8332(2) 0.23040(18) 0.0375(9) Uani 1 1 d . . . H38 H 0.7437 0.8202 0.2097 0.045 Uiso 1 1 calc R . . C39 C 0.6493(2) 0.9034(2) 0.24864(16) 0.0329(8) Uani 1 1 d . . . H39 H 0.6934 0.9384 0.2428 0.039 Uiso 1 1 calc R . . C40 C 0.5525(2) 0.92185(18) 0.27594(14) 0.0236(7) Uani 1 1 d . . . C41 C 0.5186(2) 0.99598(18) 0.29747(14) 0.0231(6) Uani 1 1 d . . . C42 C 0.5834(3) 1.0312(2) 0.31606(16) 0.0324(8) Uani 1 1 d . . . H42 H 0.6513 1.0078 0.3159 0.039 Uiso 1 1 calc R . . C43 C 0.5490(3) 1.1010(2) 0.33502(16) 0.0334(8) Uani 1 1 d . . . H43 H 0.5928 1.1256 0.3484 0.040 Uiso 1 1 calc R . . C44 C 0.4507(3) 1.13392(19) 0.33409(15) 0.0283(7) Uani 1 1 d . . . H44 H 0.4253 1.1824 0.3456 0.034 Uiso 1 1 calc R . . C45 C 0.3899(2) 1.09475(18) 0.31607(14) 0.0238(7) Uani 1 1 d . . . H45 H 0.3220 1.1179 0.3157 0.029 Uiso 1 1 calc R . . C46 C -0.4775(2) 0.6602(2) 0.61488(15) 0.0292(7) Uani 1 1 d . . . H46 H -0.5229 0.6948 0.6366 0.035 Uiso 1 1 calc R . . C47 C -0.5066(3) 0.6375(2) 0.56669(16) 0.0363(8) Uani 1 1 d . . . H47 H -0.5721 0.6556 0.5551 0.044 Uiso 1 1 calc R . . C48 C -0.4392(3) 0.5875(2) 0.53476(16) 0.0348(8) Uani 1 1 d . . . H48 H -0.4579 0.5708 0.5011 0.042 Uiso 1 1 calc R . . C49 C -0.3451(3) 0.56278(19) 0.55262(15) 0.0296(7) Uani 1 1 d . . . H49 H -0.2986 0.5288 0.5308 0.035 Uiso 1 1 calc R . . C50 C -0.3166(2) 0.58597(18) 0.60127(14) 0.0225(6) Uani 1 1 d . . . C51 C -0.2136(2) 0.56173(17) 0.61830(14) 0.0226(7) Uani 1 1 d . . . C52 C -0.1402(2) 0.56467(19) 0.56748(15) 0.0300(7) Uani 1 1 d . . . H52 H -0.1563 0.5852 0.5242 0.036 Uiso 1 1 calc R . . C53 C -0.0437(3) 0.5374(2) 0.58051(16) 0.0322(8) Uani 1 1 d . . . H53 H 0.0079 0.5398 0.5464 0.039 Uiso 1 1 calc R . . C54 C -0.0232(2) 0.50646(19) 0.64354(15) 0.0289(7) Uani 1 1 d . . . H54 H 0.0429 0.4863 0.6533 0.035 Uiso 1 1 calc R . . C55 C -0.0998(2) 0.50486(17) 0.69299(15) 0.0229(7) Uani 1 1 d . . . C56 C -0.0801(2) 0.46761(17) 0.76081(15) 0.0226(6) Uani 1 1 d . . . C57 C 0.0125(2) 0.4291(2) 0.77822(17) 0.0353(8) Uani 1 1 d . . . H57 H 0.0671 0.4269 0.7463 0.042 Uiso 1 1 calc R . . C58 C 0.0253(3) 0.3936(2) 0.84269(18) 0.0399(9) Uani 1 1 d . . . H58 H 0.0889 0.3681 0.8553 0.048 Uiso 1 1 calc R . . C59 C -0.0533(2) 0.39566(19) 0.88729(16) 0.0308(8) Uani 1 1 d . . . H59 H -0.0464 0.3697 0.9313 0.037 Uiso 1 1 calc R . . C60 C -0.1438(2) 0.43611(18) 0.86770(15) 0.0262(7) Uani 1 1 d . . . H60 H -0.1987 0.4380 0.8994 0.031 Uiso 1 1 calc R . . C61 C -0.5138(2) 0.5616(2) 0.93420(14) 0.0273(7) Uani 1 1 d . . . H61 H -0.5440 0.5300 0.9174 0.033 Uiso 1 1 calc R . . C62 C -0.5699(3) 0.6094(2) 0.97174(15) 0.0346(8) Uani 1 1 d . . . H62 H -0.6389 0.6116 0.9802 0.041 Uiso 1 1 calc R . . C63 C -0.5250(3) 0.6540(2) 0.99707(16) 0.0379(9) Uani 1 1 d . . . H63 H -0.5628 0.6877 1.0227 0.045 Uiso 1 1 calc R . . C64 C -0.4249(3) 0.6490(2) 0.98451(15) 0.0331(8) Uani 1 1 d . . . H64 H -0.3931 0.6779 1.0030 0.040 Uiso 1 1 calc R . . C65 C -0.3697(2) 0.60237(19) 0.94532(14) 0.0254(7) Uani 1 1 d . . . C66 C -0.2628(2) 0.60047(18) 0.92822(14) 0.0241(7) Uani 1 1 d . . . C67 C -0.2030(3) 0.5926(2) 0.97538(16) 0.0305(8) Uani 1 1 d . . . H67 H -0.2294 0.5857 1.0193 0.037 Uiso 1 1 calc R . . C68 C -0.1050(2) 0.59466(19) 0.95847(16) 0.0313(8) Uani 1 1 d . . . H68 H -0.0618 0.5862 0.9906 0.038 Uiso 1 1 calc R . . C69 C -0.0707(2) 0.60916(19) 0.89438(16) 0.0293(7) Uani 1 1 d . . . H69 H -0.0037 0.6128 0.8813 0.035 Uiso 1 1 calc R . . C70 C -0.1345(2) 0.61848(17) 0.84887(15) 0.0226(6) Uani 1 1 d . . . C71 C -0.1048(2) 0.64252(18) 0.77788(15) 0.0230(7) Uani 1 1 d . . . C72 C -0.0080(2) 0.64353(19) 0.75294(16) 0.0297(7) Uani 1 1 d . . . H72 H 0.0434 0.6239 0.7805 0.036 Uiso 1 1 calc R . . C73 C 0.0133(3) 0.6731(2) 0.68809(17) 0.0323(8) Uani 1 1 d . . . H73 H 0.0795 0.6726 0.6698 0.039 Uiso 1 1 calc R . . C74 C -0.0638(3) 0.70377(19) 0.64976(16) 0.0321(8) Uani 1 1 d . . . H74 H -0.0517 0.7283 0.6053 0.039 Uiso 1 1 calc R . . C75 C -0.1574(2) 0.69834(17) 0.67674(15) 0.0253(7) Uani 1 1 d . . . H75 H -0.2096 0.7180 0.6498 0.030 Uiso 1 1 calc R . . C76 C -0.3680(3) 0.34988(18) 0.81848(15) 0.0285(7) Uani 1 1 d . . . H76 H -0.2984 0.3342 0.8143 0.034 Uiso 1 1 calc R . . C77 C -0.4249(3) 0.29675(19) 0.85099(16) 0.0315(8) Uani 1 1 d . . . H77 H -0.3951 0.2439 0.8689 0.038 Uiso 1 1 calc R . . C78 C -0.5256(3) 0.31981(19) 0.85783(16) 0.0320(8) Uani 1 1 d . . . H78 H -0.5659 0.2828 0.8796 0.038 Uiso 1 1 calc R . . C79 C -0.5676(2) 0.39760(18) 0.83266(15) 0.0277(7) Uani 1 1 d . . . H79 H -0.6370 0.4143 0.8382 0.033 Uiso 1 1 calc R . . C80 C -0.5085(2) 0.45154(18) 0.79915(14) 0.0236(7) Uani 1 1 d . . . C81 C -0.5505(2) 0.53486(18) 0.77355(14) 0.0232(7) Uani 1 1 d . . . C82 C -0.6366(2) 0.5535(2) 0.74366(15) 0.0280(7) Uani 1 1 d . . . H82 H -0.6617 0.5139 0.7334 0.034 Uiso 1 1 calc R . . C83 C -0.6851(2) 0.63111(19) 0.72911(15) 0.0286(7) Uani 1 1 d . . . H83 H -0.7418 0.6463 0.7062 0.034 Uiso 1 1 calc R . . C84 C -0.6499(2) 0.68622(19) 0.74825(15) 0.0263(7) Uani 1 1 d . . . H84 H -0.6853 0.7388 0.7421 0.032 Uiso 1 1 calc R . . C85 C -0.5621(2) 0.66359(17) 0.77659(14) 0.0219(6) Uani 1 1 d . . . C86 C -0.5227(2) 0.71999(17) 0.79924(14) 0.0224(7) Uani 1 1 d . . . C87 C -0.5848(2) 0.78278(18) 0.81828(16) 0.0287(7) Uani 1 1 d . . . H87 H -0.6538 0.7900 0.8173 0.034 Uiso 1 1 calc R . . C88 C -0.5461(3) 0.83539(19) 0.83892(16) 0.0330(8) Uani 1 1 d . . . H88 H -0.5880 0.8784 0.8529 0.040 Uiso 1 1 calc R . . C89 C -0.4449(2) 0.82369(18) 0.83868(15) 0.0296(7) Uani 1 1 d . . . H89 H -0.4158 0.8597 0.8509 0.036 Uiso 1 1 calc R . . C90 C -0.3874(2) 0.75914(17) 0.82047(14) 0.0232(7) Uani 1 1 d . . . H90 H -0.3182 0.7515 0.8209 0.028 Uiso 1 1 calc R . . N01 N -0.7426(3) 0.7566(3) 1.0309(2) 0.0862(15) Uani 1 1 d . . . C01 C -0.7997(4) 0.7641(3) 0.9969(2) 0.0579(12) Uani 1 1 d . . . C02 C -0.8711(4) 0.7735(3) 0.9518(2) 0.0625(13) Uani 1 1 d . . . H02A H -0.9371 0.7757 0.9749 0.094 Uiso 1 1 calc R . . H02B H -0.8551 0.7287 0.9320 0.094 Uiso 1 1 calc R . . H02C H -0.8691 0.8222 0.9181 0.094 Uiso 1 1 calc R . . N02 N 0.1239(4) 0.7511(4) 0.2028(3) 0.126(2) Uani 1 1 d . . . C03 C 0.0774(4) 0.7849(4) 0.1601(3) 0.0851(19) Uani 1 1 d . . . C04 C 0.0186(4) 0.8250(3) 0.1083(3) 0.0874(19) Uani 1 1 d . . . H04A H 0.0100 0.7873 0.0853 0.131 Uiso 1 1 calc R . . H04B H 0.0513 0.8654 0.0784 0.131 Uiso 1 1 calc R . . H04C H -0.0459 0.8498 0.1255 0.131 Uiso 1 1 calc R . . 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 Cl1 0.0221(4) 0.0327(4) 0.0323(4) -0.0103(3) -0.0037(3) 0.0008(3) Cl2 0.0194(4) 0.0247(4) 0.0338(4) 0.0021(3) -0.0028(3) -0.0003(3) Cl3 0.0201(4) 0.0370(4) 0.0315(4) -0.0148(3) -0.0034(3) -0.0046(3) Cl4 0.0301(5) 0.0490(6) 0.0377(5) -0.0091(4) -0.0037(4) 0.0026(4) Cl5 0.0248(5) 0.0912(8) 0.0529(6) -0.0428(6) -0.0080(4) 0.0091(5) Cl6 0.0307(5) 0.0302(5) 0.0644(6) 0.0081(4) 0.0085(5) -0.0041(4) Eu1 0.01527(8) 0.01457(8) 0.01677(8) -0.00310(6) -0.00396(6) -0.00025(6) Eu2 0.01449(8) 0.01605(8) 0.01912(8) -0.00472(6) -0.00185(6) -0.00038(6) O1 0.0256(12) 0.0200(11) 0.0216(10) -0.0032(8) -0.0092(9) -0.0014(9) O2 0.0217(11) 0.0219(11) 0.0198(10) -0.0071(8) -0.0033(9) -0.0039(9) O3 0.0330(13) 0.0175(11) 0.0317(12) -0.0067(9) -0.0145(10) 0.0038(9) O4 0.0248(12) 0.0226(11) 0.0195(10) -0.0054(8) -0.0035(9) 0.0004(9) O5 0.0207(11) 0.0232(11) 0.0216(10) -0.0050(9) -0.0004(9) -0.0038(9) O6 0.0239(12) 0.0230(11) 0.0326(12) -0.0091(9) 0.0044(10) -0.0101(9) O7 0.0213(13) 0.0574(17) 0.0411(14) -0.0181(13) -0.0025(11) 0.0075(12) O8 0.0459(18) 0.062(2) 0.078(2) 0.0153(17) 0.0037(16) -0.0155(16) O9 0.0364(15) 0.073(2) 0.0510(17) -0.0283(15) -0.0197(13) 0.0123(14) O10 0.0501(18) 0.0591(19) 0.077(2) -0.0430(17) -0.0135(16) 0.0024(15) O11 0.0195(12) 0.0386(14) 0.0548(16) 0.0010(12) 0.0000(12) 0.0059(11) O12 0.0496(16) 0.0298(13) 0.0437(15) -0.0093(11) -0.0094(13) -0.0016(12) O13 0.0467(16) 0.0418(15) 0.0445(15) -0.0050(12) -0.0170(13) -0.0085(13) O14 0.0236(13) 0.0423(15) 0.0576(17) 0.0171(13) 0.0036(12) 0.0007(11) O15 0.0406(15) 0.080(2) 0.0325(14) -0.0226(14) 0.0058(12) -0.0264(15) O16 0.0324(14) 0.0503(16) 0.0489(15) -0.0323(13) -0.0055(12) -0.0048(12) O17 0.0346(15) 0.0362(15) 0.0648(18) -0.0066(13) -0.0152(13) -0.0005(12) O18 0.0215(12) 0.0518(16) 0.0422(14) -0.0174(12) -0.0104(11) -0.0082(11) O19 0.0235(14) 0.096(3) 0.072(2) -0.0216(19) -0.0127(14) 0.0025(15) O20 0.057(2) 0.058(2) 0.0519(18) 0.0039(15) 0.0032(15) 0.0088(16) O21 0.079(2) 0.0467(17) 0.0403(15) -0.0067(13) 0.0175(16) -0.0024(16) O22 0.081(3) 0.078(3) 0.111(3) -0.038(2) -0.047(2) -0.013(2) O23 0.0252(14) 0.072(2) 0.080(2) -0.0293(17) -0.0060(14) -0.0031(14) O24 0.0309(15) 0.129(3) 0.0546(18) -0.060(2) -0.0009(14) -0.0053(17) O25 0.084(3) 0.168(5) 0.059(2) 0.004(3) -0.005(2) -0.032(3) O26 0.065(2) 0.161(4) 0.144(4) -0.128(4) -0.054(2) 0.055(3) O27 0.0299(15) 0.0646(19) 0.0562(17) -0.0071(15) -0.0009(13) -0.0042(13) O28 0.114(3) 0.056(2) 0.064(2) -0.0037(17) 0.044(2) 0.011(2) O29 0.0583(19) 0.0477(18) 0.0643(19) 0.0157(14) -0.0098(16) -0.0073(15) O30 0.0448(19) 0.0366(18) 0.162(4) 0.015(2) -0.020(2) -0.0124(15) N1 0.0200(13) 0.0177(12) 0.0187(12) -0.0044(10) -0.0039(10) -0.0011(10) N2 0.0164(12) 0.0175(12) 0.0187(12) -0.0008(10) -0.0067(10) 0.0002(10) N3 0.0196(13) 0.0214(13) 0.0164(12) 0.0018(10) -0.0059(10) -0.0010(10) N4 0.0190(13) 0.0199(13) 0.0175(12) -0.0030(10) 0.0000(10) -0.0015(10) N5 0.0163(12) 0.0191(12) 0.0196(12) -0.0077(10) -0.0021(10) -0.0028(10) N6 0.0207(13) 0.0205(13) 0.0222(13) -0.0028(10) -0.0040(11) -0.0057(11) N7 0.0336(16) 0.0213(14) 0.0255(14) -0.0071(11) -0.0046(12) 0.0000(12) N8 0.0221(13) 0.0169(12) 0.0207(12) -0.0024(10) -0.0021(11) -0.0011(10) N9 0.0232(14) 0.0220(13) 0.0147(12) -0.0039(10) -0.0012(10) -0.0037(11) N10 0.0215(13) 0.0226(13) 0.0178(12) -0.0019(10) -0.0027(11) -0.0007(11) N11 0.0191(13) 0.0171(12) 0.0227(13) -0.0053(10) -0.0019(11) -0.0008(10) N12 0.0220(14) 0.0175(12) 0.0268(13) -0.0059(10) -0.0025(11) -0.0014(10) N13 0.0211(14) 0.0277(14) 0.0159(12) -0.0028(10) -0.0001(11) -0.0011(11) N14 0.0173(13) 0.0203(13) 0.0246(13) -0.0067(10) -0.0017(11) -0.0014(10) N15 0.0225(14) 0.0182(12) 0.0242(13) -0.0047(10) -0.0003(11) -0.0033(10) N16 0.0233(14) 0.0255(14) 0.0230(13) -0.0091(11) -0.0017(11) -0.0054(11) N17 0.0167(13) 0.0197(13) 0.0213(12) -0.0034(10) -0.0040(10) -0.0013(10) N18 0.0185(13) 0.0196(13) 0.0201(12) -0.0028(10) -0.0007(11) -0.0006(10) C1 0.0247(16) 0.0175(14) 0.0191(14) -0.0024(11) -0.0008(13) -0.0030(12) C2 0.0337(19) 0.0189(15) 0.0198(15) -0.0001(12) -0.0077(14) -0.0018(13) C3 0.0332(19) 0.0233(17) 0.0306(17) -0.0046(14) -0.0141(15) 0.0078(14) C4 0.0237(17) 0.0243(16) 0.0247(16) -0.0033(13) -0.0029(13) 0.0038(13) C5 0.0201(15) 0.0187(14) 0.0174(14) -0.0056(11) -0.0053(12) -0.0006(12) C6 0.0187(15) 0.0153(14) 0.0195(14) -0.0007(11) -0.0045(12) -0.0016(11) C7 0.0192(16) 0.0218(15) 0.0266(16) -0.0031(12) -0.0035(13) -0.0006(12) C8 0.0249(17) 0.0266(16) 0.0199(15) -0.0038(12) 0.0033(13) -0.0009(13) C9 0.0306(18) 0.0250(16) 0.0155(14) -0.0010(12) -0.0030(13) 0.0010(14) C10 0.0236(16) 0.0160(14) 0.0224(15) -0.0037(12) -0.0063(13) -0.0008(12) C11 0.0228(16) 0.0185(15) 0.0165(14) 0.0016(11) -0.0033(12) -0.0010(12) C12 0.0324(18) 0.0273(17) 0.0200(15) -0.0033(13) -0.0055(14) -0.0056(14) C13 0.0315(19) 0.0371(19) 0.0214(16) 0.0032(14) -0.0133(14) -0.0092(15) C14 0.0247(17) 0.0348(19) 0.0236(16) -0.0001(14) -0.0099(14) 0.0017(14) C15 0.0233(17) 0.0246(16) 0.0245(16) -0.0004(13) -0.0041(13) 0.0031(13) C16 0.0197(16) 0.0261(17) 0.0299(17) -0.0019(13) 0.0007(14) -0.0026(13) C17 0.0285(19) 0.0277(18) 0.0298(18) -0.0021(14) 0.0089(15) 0.0051(15) C18 0.049(2) 0.0239(17) 0.0283(18) -0.0090(14) 0.0087(17) -0.0025(16) C19 0.0341(19) 0.0280(17) 0.0201(15) -0.0078(13) 0.0028(14) -0.0062(15) C20 0.0238(16) 0.0183(15) 0.0196(14) -0.0021(12) -0.0022(13) -0.0046(12) C21 0.0226(16) 0.0219(15) 0.0209(15) -0.0065(12) -0.0045(13) -0.0065(13) C22 0.0264(17) 0.0335(18) 0.0224(16) -0.0053(13) -0.0067(14) -0.0074(14) C23 0.0253(18) 0.045(2) 0.0260(17) -0.0019(15) -0.0123(15) -0.0050(16) C24 0.0197(16) 0.0388(19) 0.0288(17) -0.0056(14) -0.0051(14) -0.0050(14) C25 0.0212(16) 0.0217(15) 0.0212(15) -0.0042(12) -0.0026(13) -0.0076(13) C26 0.0199(16) 0.0256(16) 0.0229(15) -0.0072(13) -0.0028(13) -0.0036(13) C27 0.0244(18) 0.061(3) 0.0312(19) -0.0032(17) -0.0060(16) -0.0100(17) C28 0.0242(19) 0.069(3) 0.0321(19) -0.0087(18) 0.0067(16) -0.0136(19) C29 0.0312(19) 0.044(2) 0.0241(16) -0.0084(15) 0.0051(15) -0.0171(16) C30 0.0306(18) 0.0301(18) 0.0225(16) -0.0021(13) -0.0066(14) -0.0080(14) C31 0.0314(19) 0.0294(18) 0.0388(19) -0.0149(15) -0.0002(16) -0.0069(15) C32 0.040(2) 0.0261(18) 0.042(2) -0.0110(15) -0.0012(17) -0.0075(16) C33 0.050(2) 0.0210(17) 0.040(2) -0.0045(15) -0.0089(18) -0.0022(16) C34 0.035(2) 0.0247(17) 0.0386(19) -0.0092(15) -0.0079(16) 0.0030(15) C35 0.0253(17) 0.0254(16) 0.0274(16) -0.0119(13) -0.0045(14) 0.0003(13) C36 0.0251(17) 0.0219(16) 0.0254(16) -0.0039(13) -0.0079(14) 0.0002(13) C37 0.0330(19) 0.0260(18) 0.039(2) -0.0087(15) -0.0058(16) 0.0065(15) C38 0.0224(18) 0.041(2) 0.043(2) -0.0115(17) -0.0003(16) 0.0063(16) C39 0.0241(18) 0.0343(19) 0.0373(19) -0.0061(15) -0.0039(15) -0.0025(15) C40 0.0196(16) 0.0255(16) 0.0241(15) -0.0057(13) -0.0048(13) 0.0005(13) C41 0.0224(16) 0.0228(16) 0.0236(15) -0.0039(12) -0.0041(13) -0.0044(13) C42 0.0246(18) 0.037(2) 0.0369(19) -0.0063(15) -0.0095(15) -0.0080(15) C43 0.037(2) 0.037(2) 0.0331(18) -0.0112(15) -0.0068(16) -0.0165(16) C44 0.037(2) 0.0255(17) 0.0250(16) -0.0070(13) -0.0012(15) -0.0121(15) C45 0.0267(17) 0.0249(16) 0.0179(14) -0.0013(12) -0.0034(13) -0.0050(13) C46 0.0231(17) 0.0344(19) 0.0249(16) -0.0021(14) -0.0063(14) 0.0016(14) C47 0.031(2) 0.044(2) 0.0301(18) -0.0001(16) -0.0130(16) -0.0038(16) C48 0.042(2) 0.038(2) 0.0268(17) -0.0094(15) -0.0088(16) -0.0074(17) C49 0.0344(19) 0.0307(18) 0.0227(16) -0.0068(13) -0.0040(15) -0.0035(15) C50 0.0231(16) 0.0219(15) 0.0187(14) -0.0019(12) -0.0011(13) -0.0011(13) C51 0.0250(17) 0.0197(15) 0.0236(15) -0.0083(12) -0.0014(13) -0.0022(13) C52 0.0339(19) 0.0300(18) 0.0244(16) -0.0088(14) 0.0011(15) -0.0024(15) C53 0.0250(18) 0.037(2) 0.0316(18) -0.0127(15) 0.0070(15) -0.0023(15) C54 0.0192(16) 0.0342(18) 0.0321(18) -0.0112(14) 0.0010(14) -0.0013(14) C55 0.0183(15) 0.0181(15) 0.0307(17) -0.0076(12) 0.0008(13) -0.0006(12) C56 0.0193(16) 0.0192(15) 0.0293(16) -0.0085(12) -0.0027(13) -0.0005(12) C57 0.0197(17) 0.041(2) 0.039(2) -0.0081(16) -0.0043(15) 0.0043(15) C58 0.0245(18) 0.042(2) 0.044(2) -0.0028(17) -0.0143(17) 0.0095(16) C59 0.0272(18) 0.0300(18) 0.0308(17) -0.0022(14) -0.0098(15) 0.0016(14) C60 0.0283(18) 0.0209(16) 0.0286(17) -0.0045(13) -0.0057(14) -0.0029(13) C61 0.0202(16) 0.0354(18) 0.0217(16) 0.0024(13) -0.0033(13) -0.0067(14) C62 0.0234(18) 0.045(2) 0.0259(17) -0.0018(15) 0.0012(15) 0.0024(15) C63 0.034(2) 0.049(2) 0.0253(17) -0.0122(16) 0.0018(16) 0.0027(17) C64 0.033(2) 0.042(2) 0.0237(17) -0.0105(15) 0.0002(15) -0.0052(16) C65 0.0253(17) 0.0310(17) 0.0176(15) -0.0027(13) -0.0032(13) -0.0040(14) C66 0.0245(17) 0.0227(16) 0.0237(16) -0.0053(12) -0.0031(13) -0.0018(13) C67 0.036(2) 0.0336(19) 0.0229(16) -0.0067(14) -0.0062(15) -0.0071(15) C68 0.0274(18) 0.0319(18) 0.0366(19) -0.0068(15) -0.0169(15) -0.0023(14) C69 0.0240(17) 0.0289(17) 0.0363(18) -0.0068(14) -0.0083(15) -0.0057(14) C70 0.0199(16) 0.0171(15) 0.0315(17) -0.0078(12) -0.0034(13) -0.0019(12) C71 0.0206(16) 0.0207(15) 0.0300(16) -0.0102(13) -0.0029(14) -0.0036(13) C72 0.0217(17) 0.0328(18) 0.0375(19) -0.0134(15) -0.0023(15) -0.0057(14) C73 0.0253(18) 0.037(2) 0.040(2) -0.0174(16) 0.0059(16) -0.0131(15) C74 0.038(2) 0.0288(18) 0.0293(17) -0.0067(14) 0.0058(16) -0.0135(16) C75 0.0263(17) 0.0210(16) 0.0270(16) -0.0038(13) -0.0018(14) -0.0043(13) C76 0.0312(18) 0.0237(16) 0.0291(17) -0.0070(13) -0.0054(15) 0.0001(14) C77 0.042(2) 0.0183(16) 0.0320(18) -0.0059(13) -0.0025(16) -0.0019(15) C78 0.043(2) 0.0271(17) 0.0287(17) -0.0071(14) 0.0015(16) -0.0161(16) C79 0.0291(18) 0.0248(17) 0.0299(17) -0.0061(13) -0.0027(14) -0.0074(14) C80 0.0256(17) 0.0247(16) 0.0222(15) -0.0081(12) -0.0070(13) -0.0024(13) C81 0.0235(16) 0.0234(16) 0.0235(15) -0.0070(12) -0.0012(13) -0.0052(13) C82 0.0239(17) 0.0317(18) 0.0306(17) -0.0086(14) -0.0063(14) -0.0061(14) C83 0.0212(17) 0.0309(18) 0.0309(17) -0.0001(14) -0.0115(14) -0.0026(14) C84 0.0154(15) 0.0289(17) 0.0283(17) -0.0019(13) -0.0024(13) 0.0023(13) C85 0.0186(15) 0.0225(15) 0.0208(15) -0.0018(12) -0.0006(13) -0.0014(12) C86 0.0234(16) 0.0168(15) 0.0220(15) 0.0000(12) 0.0003(13) -0.0011(12) C87 0.0210(16) 0.0252(17) 0.0370(18) -0.0083(14) -0.0004(14) 0.0004(13) C88 0.035(2) 0.0231(17) 0.0378(19) -0.0133(14) 0.0029(16) 0.0026(15) C89 0.037(2) 0.0209(16) 0.0311(17) -0.0076(13) 0.0004(15) -0.0061(14) C90 0.0221(16) 0.0214(15) 0.0247(16) -0.0066(12) 0.0017(13) -0.0028(13) N01 0.055(3) 0.099(4) 0.100(4) -0.037(3) -0.020(3) 0.019(3) C01 0.044(3) 0.052(3) 0.071(3) -0.016(2) -0.007(2) 0.008(2) C02 0.066(3) 0.047(3) 0.074(3) -0.002(2) -0.021(3) -0.015(2) N02 0.097(4) 0.158(6) 0.138(5) -0.058(5) -0.057(4) -0.001(4) C03 0.062(3) 0.086(4) 0.126(5) -0.061(4) -0.048(4) 0.016(3) C04 0.060(3) 0.072(4) 0.139(5) -0.053(4) -0.042(3) 0.024(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 Cl1 O8 1.414(3) . ? Cl1 O10 1.426(3) . ? Cl1 O7 1.427(2) . ? Cl1 O9 1.436(3) . ? Cl2 O11 1.426(2) . ? Cl2 O12 1.428(3) . ? Cl2 O13 1.433(3) . ? Cl2 O14 1.440(2) . ? Cl3 O15 1.427(2) . ? Cl3 O17 1.430(3) . ? Cl3 O16 1.430(2) . ? Cl3 O18 1.432(2) . ? Cl4 O19 1.399(3) . ? Cl4 O21 1.418(3) . ? Cl4 O20 1.427(3) . ? Cl4 O22 1.457(3) . ? Cl5 O26 1.412(3) . ? Cl5 O23 1.418(3) . ? Cl5 O25 1.418(4) . ? Cl5 O24 1.427(3) . ? Cl6 O30 1.416(3) . ? Cl6 O27 1.424(3) . ? Cl6 O29 1.431(3) . ? Cl6 O28 1.434(3) . ? Eu1 O3 2.305(2) . ? Eu1 O1 2.339(2) . ? Eu1 O2 2.3489(19) . ? Eu1 N6 2.580(2) . ? Eu1 N9 2.600(2) . ? Eu1 N2 2.614(2) . ? Eu1 N1 2.618(2) . ? Eu1 N5 2.642(2) . ? Eu1 N8 2.703(3) . ? Eu1 N3 3.170(2) . ? Eu2 O6 2.308(2) . ? Eu2 O4 2.319(2) . ? Eu2 O5 2.373(2) . ? Eu2 N12 2.585(3) . ? Eu2 N18 2.598(2) . ? Eu2 N15 2.617(2) . ? Eu2 N14 2.630(2) . ? Eu2 N11 2.652(2) . ? Eu2 N17 2.690(2) . ? Eu2 N13 3.183(2) . ? O1 N3 1.334(3) . ? O2 N4 1.330(3) . ? O3 N7 1.323(3) . ? O4 N10 1.333(3) . ? O5 N13 1.340(3) . ? O6 N16 1.331(3) . ? N1 C1 1.346(4) . ? N1 C5 1.350(4) . ? N2 C10 1.341(4) . ? N2 C6 1.351(4) . ? N3 C15 1.353(4) . ? N3 C11 1.361(4) . ? N4 C16 1.341(4) . ? N4 C20 1.351(4) . ? N5 C21 1.351(4) . ? N5 C25 1.354(4) . ? N6 C30 1.349(4) . ? N6 C26 1.357(4) . ? N7 C35 1.345(4) . ? N7 C31 1.358(4) . ? N8 C40 1.338(4) . ? N8 C36 1.350(4) . ? N9 C45 1.336(4) . ? N9 C41 1.370(4) . ? N10 C46 1.352(4) . ? N10 C50 1.362(4) . ? N11 C55 1.350(4) . ? N11 C51 1.351(4) . ? N12 C60 1.334(4) . ? N12 C56 1.358(4) . ? N13 C61 1.348(4) . ? N13 C65 1.357(4) . ? N14 C70 1.348(4) . ? N14 C66 1.351(4) . ? N15 C75 1.345(4) . ? N15 C71 1.347(4) . ? N16 C80 1.351(4) . ? N16 C76 1.352(4) . ? N17 C81 1.351(4) . ? N17 C85 1.355(4) . ? N18 C90 1.341(4) . ? N18 C86 1.365(4) . ? C1 C2 1.376(4) . ? C2 C3 1.374(4) . ? C3 C4 1.383(4) . ? C4 C5 1.379(4) . ? C5 C6 1.494(4) . ? C6 C7 1.387(4) . ? C7 C8 1.385(4) . ? C8 C9 1.373(4) . ? C9 C10 1.392(4) . ? C10 C11 1.483(4) . ? C11 C12 1.380(4) . ? C12 C13 1.389(5) . ? C13 C14 1.378(5) . ? C14 C15 1.373(4) . ? C16 C17 1.375(5) . ? C17 C18 1.381(5) . ? C18 C19 1.378(5) . ? C19 C20 1.396(4) . ? C20 C21 1.485(4) . ? C21 C22 1.377(4) . ? C22 C23 1.380(5) . ? C23 C24 1.384(4) . ? C24 C25 1.385(4) . ? C25 C26 1.482(4) . ? C26 C27 1.391(4) . ? C27 C28 1.390(5) . ? C28 C29 1.362(5) . ? C29 C30 1.381(5) . ? C31 C32 1.372(5) . ? C32 C33 1.374(5) . ? C33 C34 1.371(5) . ? C34 C35 1.391(4) . ? C35 C36 1.480(4) . ? C36 C37 1.377(4) . ? C37 C38 1.367(5) . ? C38 C39 1.383(5) . ? C39 C40 1.399(4) . ? C40 C41 1.487(4) . ? C41 C42 1.378(4) . ? C42 C43 1.389(5) . ? C43 C44 1.372(5) . ? C44 C45 1.378(4) . ? C46 C47 1.363(5) . ? C47 C48 1.391(5) . ? C48 C49 1.373(5) . ? C49 C50 1.372(4) . ? C50 C51 1.483(4) . ? C51 C52 1.384(4) . ? C52 C53 1.376(5) . ? C53 C54 1.374(5) . ? C54 C55 1.393(4) . ? C55 C56 1.478(4) . ? C56 C57 1.383(4) . ? C57 C58 1.388(5) . ? C58 C59 1.349(5) . ? C59 C60 1.379(4) . ? C61 C62 1.377(5) . ? C62 C63 1.384(5) . ? C63 C64 1.375(5) . ? C64 C65 1.384(4) . ? C65 C66 1.481(4) . ? C66 C67 1.376(4) . ? C67 C68 1.373(5) . ? C68 C69 1.370(5) . ? C69 C70 1.382(4) . ? C70 C71 1.498(4) . ? C71 C72 1.383(4) . ? C72 C73 1.371(5) . ? C73 C74 1.385(5) . ? C74 C75 1.364(4) . ? C76 C77 1.361(4) . ? C77 C78 1.375(5) . ? C78 C79 1.386(5) . ? C79 C80 1.397(4) . ? C80 C81 1.469(4) . ? C81 C82 1.388(4) . ? C82 C83 1.384(4) . ? C83 C84 1.380(5) . ? C84 C85 1.388(4) . ? C85 C86 1.478(4) . ? C86 C87 1.380(4) . ? C87 C88 1.388(5) . ? C88 C89 1.385(5) . ? C89 C90 1.373(4) . ? N01 C01 1.131(6) . ? C01 C02 1.454(7) . ? N02 C03 1.162(7) . ? C03 C04 1.425(7) . ? 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 O8 Cl1 O10 110.3(2) . . ? O8 Cl1 O7 109.20(18) . . ? O10 Cl1 O7 109.27(17) . . ? O8 Cl1 O9 108.51(19) . . ? O10 Cl1 O9 109.52(18) . . ? O7 Cl1 O9 110.02(15) . . ? O11 Cl2 O12 109.52(16) . . ? O11 Cl2 O13 110.37(16) . . ? O12 Cl2 O13 108.67(15) . . ? O11 Cl2 O14 109.35(15) . . ? O12 Cl2 O14 109.45(16) . . ? O13 Cl2 O14 109.46(17) . . ? O15 Cl3 O17 109.17(17) . . ? O15 Cl3 O16 109.59(16) . . ? O17 Cl3 O16 108.10(17) . . ? O15 Cl3 O18 109.73(15) . . ? O17 Cl3 O18 109.97(16) . . ? O16 Cl3 O18 110.25(15) . . ? O19 Cl4 O21 111.9(2) . . ? O19 Cl4 O20 113.4(2) . . ? O21 Cl4 O20 109.64(18) . . ? O19 Cl4 O22 106.8(2) . . ? O21 Cl4 O22 108.1(2) . . ? O20 Cl4 O22 106.6(2) . . ? O26 Cl5 O23 111.8(2) . . ? O26 Cl5 O25 106.9(3) . . ? O23 Cl5 O25 108.1(2) . . ? O26 Cl5 O24 108.4(2) . . ? O23 Cl5 O24 110.09(17) . . ? O25 Cl5 O24 111.6(3) . . ? O30 Cl6 O27 109.54(19) . . ? O30 Cl6 O29 112.2(2) . . ? O27 Cl6 O29 109.66(18) . . ? O30 Cl6 O28 107.5(2) . . ? O27 Cl6 O28 108.7(2) . . ? O29 Cl6 O28 109.2(2) . . ? O3 Eu1 O1 80.72(7) . . ? O3 Eu1 O2 87.43(7) . . ? O1 Eu1 O2 148.00(7) . . ? O3 Eu1 N6 81.14(8) . . ? O1 Eu1 N6 76.26(7) . . ? O2 Eu1 N6 131.22(7) . . ? O3 Eu1 N9 130.70(8) . . ? O1 Eu1 N9 90.92(7) . . ? O2 Eu1 N9 74.55(7) . . ? N6 Eu1 N9 143.78(8) . . ? O3 Eu1 N2 142.14(7) . . ? O1 Eu1 N2 68.64(7) . . ? O2 Eu1 N2 130.18(7) . . ? N6 Eu1 N2 70.64(8) . . ? N9 Eu1 N2 73.14(7) . . ? O3 Eu1 N1 137.51(7) . . ? O1 Eu1 N1 129.79(7) . . ? O2 Eu1 N1 77.57(7) . . ? N6 Eu1 N1 79.69(8) . . ? N9 Eu1 N1 83.34(8) . . ? N2 Eu1 N1 61.95(7) . . ? O3 Eu1 N5 67.82(7) . . ? O1 Eu1 N5 130.68(7) . . ? O2 Eu1 N5 69.22(7) . . ? N6 Eu1 N5 62.52(7) . . ? N9 Eu1 N5 138.39(7) . . ? N2 Eu1 N5 116.74(7) . . ? N1 Eu1 N5 69.69(7) . . ? O3 Eu1 N8 68.20(8) . . ? O1 Eu1 N8 73.08(7) . . ? O2 Eu1 N8 74.93(7) . . ? N6 Eu1 N8 139.35(7) . . ? N9 Eu1 N8 62.92(8) . . ? N2 Eu1 N8 119.91(7) . . ? N1 Eu1 N8 140.90(7) . . ? N5 Eu1 N8 123.35(7) . . ? O3 Eu1 N3 97.14(7) . . ? O1 Eu1 N3 22.10(7) . . ? O2 Eu1 N3 135.28(7) . . ? N6 Eu1 N3 93.30(7) . . ? N9 Eu1 N3 68.96(7) . . ? N2 Eu1 N3 61.00(7) . . ? N1 Eu1 N3 121.46(7) . . ? N5 Eu1 N3 152.49(7) . . ? N8 Eu1 N3 65.99(7) . . ? O6 Eu2 O4 91.12(8) . . ? O6 Eu2 O5 81.27(7) . . ? O4 Eu2 O5 146.62(7) . . ? O6 Eu2 N12 78.50(8) . . ? O4 Eu2 N12 131.55(7) . . ? O5 Eu2 N12 78.89(7) . . ? O6 Eu2 N18 131.30(8) . . ? O4 Eu2 N18 73.65(7) . . ? O5 Eu2 N18 87.11(7) . . ? N12 Eu2 N18 144.80(8) . . ? O6 Eu2 N15 138.63(7) . . ? O4 Eu2 N15 77.02(8) . . ? O5 Eu2 N15 128.53(7) . . ? N12 Eu2 N15 80.44(8) . . ? N18 Eu2 N15 83.57(8) . . ? O6 Eu2 N14 139.57(8) . . ? O4 Eu2 N14 128.96(7) . . ? O5 Eu2 N14 67.78(7) . . ? N12 Eu2 N14 70.74(8) . . ? N18 Eu2 N14 74.08(8) . . ? N15 Eu2 N14 60.97(8) . . ? O6 Eu2 N11 68.25(7) . . ? O4 Eu2 N11 69.42(7) . . ? O5 Eu2 N11 134.36(7) . . ? N12 Eu2 N11 62.74(8) . . ? N18 Eu2 N11 138.53(7) . . ? N15 Eu2 N11 70.48(8) . . ? N14 Eu2 N11 116.47(8) . . ? O6 Eu2 N17 68.32(7) . . ? O4 Eu2 N17 74.95(7) . . ? O5 Eu2 N17 72.03(7) . . ? N12 Eu2 N17 138.38(7) . . ? N18 Eu2 N17 63.10(8) . . ? N15 Eu2 N17 141.17(8) . . ? N14 Eu2 N17 121.54(7) . . ? N11 Eu2 N17 121.99(8) . . ? O6 Eu2 N13 98.85(7) . . ? O4 Eu2 N13 132.52(7) . . ? O5 Eu2 N13 22.40(7) . . ? N12 Eu2 N13 95.92(7) . . ? N18 Eu2 N13 64.99(7) . . ? N15 Eu2 N13 118.49(7) . . ? N14 Eu2 N13 60.15(7) . . ? N11 Eu2 N13 156.29(7) . . ? N17 Eu2 N13 66.37(7) . . ? N3 O1 Eu1 116.63(15) . . ? N4 O2 Eu1 123.52(16) . . ? N7 O3 Eu1 124.26(17) . . ? N10 O4 Eu2 124.95(16) . . ? N13 O5 Eu2 115.14(16) . . ? N16 O6 Eu2 126.37(16) . . ? C1 N1 C5 117.0(2) . . ? C1 N1 Eu1 122.10(18) . . ? C5 N1 Eu1 114.52(17) . . ? C10 N2 C6 118.4(2) . . ? C10 N2 Eu1 123.28(19) . . ? C6 N2 Eu1 115.89(18) . . ? O1 N3 C15 117.7(3) . . ? O1 N3 C11 120.7(2) . . ? C15 N3 C11 121.7(3) . . ? O1 N3 Eu1 41.28(11) . . ? C15 N3 Eu1 124.10(19) . . ? C11 N3 Eu1 100.96(16) . . ? O2 N4 C16 117.8(3) . . ? O2 N4 C20 120.2(2) . . ? C16 N4 C20 121.9(3) . . ? C21 N5 C25 116.9(3) . . ? C21 N5 Eu1 123.66(18) . . ? C25 N5 Eu1 115.49(18) . . ? C30 N6 C26 117.7(3) . . ? C30 N6 Eu1 122.3(2) . . ? C26 N6 Eu1 119.20(18) . . ? O3 N7 C35 120.0(3) . . ? O3 N7 C31 118.3(3) . . ? C35 N7 C31 121.6(3) . . ? C40 N8 C36 117.5(3) . . ? C40 N8 Eu1 114.95(19) . . ? C36 N8 Eu1 122.5(2) . . ? C45 N9 C41 116.5(3) . . ? C45 N9 Eu1 122.8(2) . . ? C41 N9 Eu1 120.69(19) . . ? O4 N10 C46 117.7(3) . . ? O4 N10 C50 120.7(2) . . ? C46 N10 C50 121.5(3) . . ? C55 N11 C51 118.1(3) . . ? C55 N11 Eu2 115.31(19) . . ? C51 N11 Eu2 123.49(19) . . ? C60 N12 C56 118.4(3) . . ? C60 N12 Eu2 121.0(2) . . ? C56 N12 Eu2 118.71(19) . . ? O5 N13 C61 118.1(3) . . ? O5 N13 C65 120.0(2) . . ? C61 N13 C65 121.8(3) . . ? O5 N13 Eu2 42.46(11) . . ? C61 N13 Eu2 121.22(19) . . ? C65 N13 Eu2 102.16(17) . . ? C70 N14 C66 117.1(3) . . ? C70 N14 Eu2 115.16(19) . . ? C66 N14 Eu2 124.87(19) . . ? C75 N15 C71 117.8(3) . . ? C75 N15 Eu2 120.6(2) . . ? C71 N15 Eu2 112.45(18) . . ? O6 N16 C80 119.6(3) . . ? O6 N16 C76 117.7(3) . . ? C80 N16 C76 122.5(3) . . ? C81 N17 C85 116.9(3) . . ? C81 N17 Eu2 122.97(19) . . ? C85 N17 Eu2 114.52(18) . . ? C90 N18 C86 117.4(3) . . ? C90 N18 Eu2 122.57(19) . . ? C86 N18 Eu2 120.03(19) . . ? N1 C1 C2 123.8(3) . . ? C3 C2 C1 118.3(3) . . ? C2 C3 C4 119.0(3) . . ? C5 C4 C3 119.5(3) . . ? N1 C5 C4 122.1(3) . . ? N1 C5 C6 115.8(2) . . ? C4 C5 C6 122.0(3) . . ? N2 C6 C7 122.1(3) . . ? N2 C6 C5 116.7(2) . . ? C7 C6 C5 121.1(3) . . ? C8 C7 C6 118.7(3) . . ? C9 C8 C7 119.5(3) . . ? C8 C9 C10 118.8(3) . . ? N2 C10 C9 122.4(3) . . ? N2 C10 C11 119.1(3) . . ? C9 C10 C11 118.4(3) . . ? N3 C11 C12 118.6(3) . . ? N3 C11 C10 119.2(3) . . ? C12 C11 C10 122.2(3) . . ? C11 C12 C13 120.2(3) . . ? C14 C13 C12 119.7(3) . . ? C15 C14 C13 119.1(3) . . ? N3 C15 C14 120.6(3) . . ? N4 C16 C17 121.2(3) . . ? C16 C17 C18 118.5(3) . . ? C19 C18 C17 119.8(3) . . ? C18 C19 C20 120.2(3) . . ? N4 C20 C19 118.3(3) . . ? N4 C20 C21 121.0(3) . . ? C19 C20 C21 120.6(3) . . ? N5 C21 C22 123.6(3) . . ? N5 C21 C20 119.2(3) . . ? C22 C21 C20 117.1(3) . . ? C21 C22 C23 118.7(3) . . ? C22 C23 C24 118.8(3) . . ? C23 C24 C25 119.5(3) . . ? N5 C25 C24 122.2(3) . . ? N5 C25 C26 116.7(3) . . ? C24 C25 C26 121.0(3) . . ? N6 C26 C27 121.6(3) . . ? N6 C26 C25 116.8(3) . . ? C27 C26 C25 121.5(3) . . ? C28 C27 C26 119.0(3) . . ? C29 C28 C27 119.5(3) . . ? C28 C29 C30 118.8(3) . . ? N6 C30 C29 123.2(3) . . ? N7 C31 C32 120.1(3) . . ? C31 C32 C33 119.5(3) . . ? C34 C33 C32 119.6(3) . . ? C33 C34 C35 120.4(3) . . ? N7 C35 C34 118.7(3) . . ? N7 C35 C36 120.1(3) . . ? C34 C35 C36 121.1(3) . . ? N8 C36 C37 122.3(3) . . ? N8 C36 C35 118.4(3) . . ? C37 C36 C35 118.9(3) . . ? C38 C37 C36 120.0(3) . . ? C37 C38 C39 118.6(3) . . ? C38 C39 C40 118.6(3) . . ? N8 C40 C39 122.5(3) . . ? N8 C40 C41 117.7(3) . . ? C39 C40 C41 119.8(3) . . ? N9 C41 C42 121.8(3) . . ? N9 C41 C40 116.7(3) . . ? C42 C41 C40 121.5(3) . . ? C41 C42 C43 119.8(3) . . ? C44 C43 C42 118.8(3) . . ? C43 C44 C45 118.2(3) . . ? N9 C45 C44 124.7(3) . . ? N10 C46 C47 120.8(3) . . ? C46 C47 C48 119.1(3) . . ? C49 C48 C47 118.9(3) . . ? C50 C49 C48 121.5(3) . . ? N10 C50 C49 118.2(3) . . ? N10 C50 C51 120.7(3) . . ? C49 C50 C51 121.1(3) . . ? N11 C51 C52 122.5(3) . . ? N11 C51 C50 120.7(3) . . ? C52 C51 C50 116.7(3) . . ? C53 C52 C51 119.1(3) . . ? C54 C53 C52 119.0(3) . . ? C53 C54 C55 119.7(3) . . ? N11 C55 C54 121.4(3) . . ? N11 C55 C56 117.8(3) . . ? C54 C55 C56 120.7(3) . . ? N12 C56 C57 120.5(3) . . ? N12 C56 C55 116.9(3) . . ? C57 C56 C55 122.5(3) . . ? C56 C57 C58 119.6(3) . . ? C59 C58 C57 119.5(3) . . ? C58 C59 C60 118.7(3) . . ? N12 C60 C59 123.2(3) . . ? N13 C61 C62 120.2(3) . . ? C61 C62 C63 119.6(3) . . ? C64 C63 C62 118.9(3) . . ? C63 C64 C65 121.0(3) . . ? N13 C65 C64 118.4(3) . . ? N13 C65 C66 120.2(3) . . ? C64 C65 C66 121.3(3) . . ? N14 C66 C67 122.7(3) . . ? N14 C66 C65 117.2(3) . . ? C67 C66 C65 120.0(3) . . ? C68 C67 C66 119.4(3) . . ? C69 C68 C67 118.7(3) . . ? C68 C69 C70 119.4(3) . . ? N14 C70 C69 122.5(3) . . ? N14 C70 C71 115.1(3) . . ? C69 C70 C71 122.2(3) . . ? N15 C71 C72 121.8(3) . . ? N15 C71 C70 115.7(3) . . ? C72 C71 C70 122.4(3) . . ? C73 C72 C71 119.5(3) . . ? C72 C73 C74 118.6(3) . . ? C75 C74 C73 119.1(3) . . ? N15 C75 C74 122.9(3) . . ? N16 C76 C77 120.2(3) . . ? C76 C77 C78 119.8(3) . . ? C77 C78 C79 119.3(3) . . ? C78 C79 C80 120.3(3) . . ? N16 C80 C79 117.7(3) . . ? N16 C80 C81 120.6(3) . . ? C79 C80 C81 121.6(3) . . ? N17 C81 C82 123.3(3) . . ? N17 C81 C80 118.0(3) . . ? C82 C81 C80 118.3(3) . . ? C83 C82 C81 118.3(3) . . ? C84 C83 C82 119.2(3) . . ? C83 C84 C85 119.0(3) . . ? N17 C85 C84 122.6(3) . . ? N17 C85 C86 116.4(3) . . ? C84 C85 C86 121.0(3) . . ? N18 C86 C87 121.7(3) . . ? N18 C86 C85 117.5(3) . . ? C87 C86 C85 120.8(3) . . ? C86 C87 C88 119.9(3) . . ? C89 C88 C87 118.4(3) . . ? C90 C89 C88 118.9(3) . . ? N18 C90 C89 123.8(3) . . ? N01 C01 C02 178.5(5) . . ? N02 C03 C04 178.5(8) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O3 Eu1 O1 N3 137.49(19) . . . . ? O2 Eu1 O1 N3 67.8(2) . . . . ? N6 Eu1 O1 N3 -139.43(19) . . . . ? N9 Eu1 O1 N3 6.33(18) . . . . ? N2 Eu1 O1 N3 -65.14(18) . . . . ? N1 Eu1 O1 N3 -75.8(2) . . . . ? N5 Eu1 O1 N3 -172.66(16) . . . . ? N8 Eu1 O1 N3 67.59(18) . . . . ? O3 Eu1 O2 N4 8.7(2) . . . . ? O1 Eu1 O2 N4 76.6(2) . . . . ? N6 Eu1 O2 N4 -67.1(2) . . . . ? N9 Eu1 O2 N4 142.3(2) . . . . ? N2 Eu1 O2 N4 -166.53(18) . . . . ? N1 Eu1 O2 N4 -131.3(2) . . . . ? N5 Eu1 O2 N4 -58.50(19) . . . . ? N8 Eu1 O2 N4 76.8(2) . . . . ? N3 Eu1 O2 N4 106.3(2) . . . . ? O1 Eu1 O3 N7 -18.5(2) . . . . ? O2 Eu1 O3 N7 131.7(2) . . . . ? N6 Eu1 O3 N7 -95.9(2) . . . . ? N9 Eu1 O3 N7 64.7(2) . . . . ? N2 Eu1 O3 N7 -54.2(3) . . . . ? N1 Eu1 O3 N7 -159.88(19) . . . . ? N5 Eu1 O3 N7 -159.7(2) . . . . ? N8 Eu1 O3 N7 56.9(2) . . . . ? N3 Eu1 O3 N7 -3.6(2) . . . . ? O6 Eu2 O4 N10 -8.2(2) . . . . ? O5 Eu2 O4 N10 -83.9(2) . . . . ? N12 Eu2 O4 N10 67.4(2) . . . . ? N18 Eu2 O4 N10 -141.2(2) . . . . ? N15 Eu2 O4 N10 131.8(2) . . . . ? N14 Eu2 O4 N10 166.03(18) . . . . ? N11 Eu2 O4 N10 58.06(19) . . . . ? N17 Eu2 O4 N10 -75.3(2) . . . . ? N13 Eu2 O4 N10 -111.3(2) . . . . ? O6 Eu2 O5 N13 -141.34(19) . . . . ? O4 Eu2 O5 N13 -62.7(2) . . . . ? N12 Eu2 O5 N13 138.76(19) . . . . ? N18 Eu2 O5 N13 -8.78(18) . . . . ? N15 Eu2 O5 N13 70.6(2) . . . . ? N14 Eu2 O5 N13 65.20(18) . . . . ? N11 Eu2 O5 N13 171.09(16) . . . . ? N17 Eu2 O5 N13 -71.40(18) . . . . ? O4 Eu2 O6 N16 -127.6(2) . . . . ? O5 Eu2 O6 N16 19.8(2) . . . . ? N12 Eu2 O6 N16 100.1(2) . . . . ? N18 Eu2 O6 N16 -58.5(2) . . . . ? N15 Eu2 O6 N16 160.95(19) . . . . ? N14 Eu2 O6 N16 59.4(3) . . . . ? N11 Eu2 O6 N16 165.2(2) . . . . ? N17 Eu2 O6 N16 -54.3(2) . . . . ? N13 Eu2 O6 N16 5.8(2) . . . . ? O3 Eu1 N1 C1 -46.1(3) . . . . ? O1 Eu1 N1 C1 -172.8(2) . . . . ? O2 Eu1 N1 C1 26.0(2) . . . . ? N6 Eu1 N1 C1 -110.6(2) . . . . ? N9 Eu1 N1 C1 101.5(2) . . . . ? N2 Eu1 N1 C1 176.0(2) . . . . ? N5 Eu1 N1 C1 -46.2(2) . . . . ? N8 Eu1 N1 C1 72.1(3) . . . . ? N3 Eu1 N1 C1 161.9(2) . . . . ? O3 Eu1 N1 C5 105.1(2) . . . . ? O1 Eu1 N1 C5 -21.6(2) . . . . ? O2 Eu1 N1 C5 177.1(2) . . . . ? N6 Eu1 N1 C5 40.60(19) . . . . ? N9 Eu1 N1 C5 -107.3(2) . . . . ? N2 Eu1 N1 C5 -32.85(18) . . . . ? N5 Eu1 N1 C5 105.0(2) . . . . ? N8 Eu1 N1 C5 -136.75(18) . . . . ? N3 Eu1 N1 C5 -47.0(2) . . . . ? O3 Eu1 N2 C10 58.7(3) . . . . ? O1 Eu1 N2 C10 20.5(2) . . . . ? O2 Eu1 N2 C10 -129.0(2) . . . . ? N6 Eu1 N2 C10 102.9(2) . . . . ? N9 Eu1 N2 C10 -77.3(2) . . . . ? N1 Eu1 N2 C10 -168.7(2) . . . . ? N5 Eu1 N2 C10 146.4(2) . . . . ? N8 Eu1 N2 C10 -33.7(2) . . . . ? N3 Eu1 N2 C10 -2.5(2) . . . . ? O3 Eu1 N2 C6 -103.2(2) . . . . ? O1 Eu1 N2 C6 -141.4(2) . . . . ? O2 Eu1 N2 C6 69.1(2) . . . . ? N6 Eu1 N2 C6 -59.08(19) . . . . ? N9 Eu1 N2 C6 120.7(2) . . . . ? N1 Eu1 N2 C6 29.33(18) . . . . ? N5 Eu1 N2 C6 -15.5(2) . . . . ? N8 Eu1 N2 C6 164.40(18) . . . . ? N3 Eu1 N2 C6 -164.4(2) . . . . ? Eu1 O1 N3 C15 -111.2(2) . . . . ? Eu1 O1 N3 C11 70.1(3) . . . . ? O3 Eu1 N3 O1 -42.22(19) . . . . ? O2 Eu1 N3 O1 -135.79(17) . . . . ? N6 Eu1 N3 O1 39.26(18) . . . . ? N9 Eu1 N3 O1 -173.22(19) . . . . ? N2 Eu1 N3 O1 104.95(19) . . . . ? N1 Eu1 N3 O1 119.18(18) . . . . ? N5 Eu1 N3 O1 12.1(3) . . . . ? N8 Eu1 N3 O1 -104.48(19) . . . . ? O3 Eu1 N3 C15 52.3(2) . . . . ? O1 Eu1 N3 C15 94.5(3) . . . . ? O2 Eu1 N3 C15 -41.3(3) . . . . ? N6 Eu1 N3 C15 133.8(2) . . . . ? N9 Eu1 N3 C15 -78.7(2) . . . . ? N2 Eu1 N3 C15 -160.5(3) . . . . ? N1 Eu1 N3 C15 -146.3(2) . . . . ? N5 Eu1 N3 C15 106.6(3) . . . . ? N8 Eu1 N3 C15 -10.0(2) . . . . ? O3 Eu1 N3 C11 -166.74(18) . . . . ? O1 Eu1 N3 C11 -124.5(3) . . . . ? O2 Eu1 N3 C11 99.70(19) . . . . ? N6 Eu1 N3 C11 -85.26(18) . . . . ? N9 Eu1 N3 C11 62.26(18) . . . . ? N2 Eu1 N3 C11 -19.56(17) . . . . ? N1 Eu1 N3 C11 -5.3(2) . . . . ? N5 Eu1 N3 C11 -112.4(2) . . . . ? N8 Eu1 N3 C11 131.00(19) . . . . ? Eu1 O2 N4 C16 -117.5(2) . . . . ? Eu1 O2 N4 C20 65.4(3) . . . . ? O3 Eu1 N5 C21 -85.5(2) . . . . ? O1 Eu1 N5 C21 -140.0(2) . . . . ? O2 Eu1 N5 C21 10.4(2) . . . . ? N6 Eu1 N5 C21 -176.9(2) . . . . ? N9 Eu1 N5 C21 41.5(3) . . . . ? N2 Eu1 N5 C21 136.0(2) . . . . ? N1 Eu1 N5 C21 94.4(2) . . . . ? N8 Eu1 N5 C21 -43.9(2) . . . . ? N3 Eu1 N5 C21 -146.0(2) . . . . ? O3 Eu1 N5 C25 117.6(2) . . . . ? O1 Eu1 N5 C25 63.1(2) . . . . ? O2 Eu1 N5 C25 -146.5(2) . . . . ? N6 Eu1 N5 C25 26.21(19) . . . . ? N9 Eu1 N5 C25 -115.4(2) . . . . ? N2 Eu1 N5 C25 -20.9(2) . . . . ? N1 Eu1 N5 C25 -62.49(19) . . . . ? N8 Eu1 N5 C25 159.18(18) . . . . ? N3 Eu1 N5 C25 57.1(3) . . . . ? O3 Eu1 N6 C30 99.3(2) . . . . ? O1 Eu1 N6 C30 16.7(2) . . . . ? O2 Eu1 N6 C30 177.9(2) . . . . ? N9 Eu1 N6 C30 -55.5(3) . . . . ? N2 Eu1 N6 C30 -55.1(2) . . . . ? N1 Eu1 N6 C30 -118.8(2) . . . . ? N5 Eu1 N6 C30 168.8(3) . . . . ? N8 Eu1 N6 C30 58.6(3) . . . . ? N3 Eu1 N6 C30 2.5(2) . . . . ? O3 Eu1 N6 C26 -91.4(2) . . . . ? O1 Eu1 N6 C26 -174.0(2) . . . . ? O2 Eu1 N6 C26 -12.8(3) . . . . ? N9 Eu1 N6 C26 113.8(2) . . . . ? N2 Eu1 N6 C26 114.2(2) . . . . ? N1 Eu1 N6 C26 50.5(2) . . . . ? N5 Eu1 N6 C26 -21.9(2) . . . . ? N8 Eu1 N6 C26 -132.1(2) . . . . ? N3 Eu1 N6 C26 171.8(2) . . . . ? Eu1 O3 N7 C35 -75.4(3) . . . . ? Eu1 O3 N7 C31 108.5(3) . . . . ? O3 Eu1 N8 C40 152.8(2) . . . . ? O1 Eu1 N8 C40 -120.6(2) . . . . ? O2 Eu1 N8 C40 59.5(2) . . . . ? N6 Eu1 N8 C40 -163.25(19) . . . . ? N9 Eu1 N8 C40 -20.55(19) . . . . ? N2 Eu1 N8 C40 -68.5(2) . . . . ? N1 Eu1 N8 C40 12.8(3) . . . . ? N5 Eu1 N8 C40 111.4(2) . . . . ? N3 Eu1 N8 C40 -98.2(2) . . . . ? O3 Eu1 N8 C36 -1.3(2) . . . . ? O1 Eu1 N8 C36 85.3(2) . . . . ? O2 Eu1 N8 C36 -94.6(2) . . . . ? N6 Eu1 N8 C36 42.6(3) . . . . ? N9 Eu1 N8 C36 -174.7(2) . . . . ? N2 Eu1 N8 C36 137.4(2) . . . . ? N1 Eu1 N8 C36 -141.4(2) . . . . ? N5 Eu1 N8 C36 -42.7(2) . . . . ? N3 Eu1 N8 C36 107.7(2) . . . . ? O3 Eu1 N9 C45 -179.00(19) . . . . ? O1 Eu1 N9 C45 -100.5(2) . . . . ? O2 Eu1 N9 C45 108.4(2) . . . . ? N6 Eu1 N9 C45 -32.8(3) . . . . ? N2 Eu1 N9 C45 -33.2(2) . . . . ? N1 Eu1 N9 C45 29.5(2) . . . . ? N5 Eu1 N9 C45 78.4(2) . . . . ? N8 Eu1 N9 C45 -170.9(2) . . . . ? N3 Eu1 N9 C45 -97.9(2) . . . . ? O3 Eu1 N9 C41 0.2(2) . . . . ? O1 Eu1 N9 C41 78.7(2) . . . . ? O2 Eu1 N9 C41 -72.4(2) . . . . ? N6 Eu1 N9 C41 146.4(2) . . . . ? N2 Eu1 N9 C41 146.1(2) . . . . ? N1 Eu1 N9 C41 -151.3(2) . . . . ? N5 Eu1 N9 C41 -102.4(2) . . . . ? N8 Eu1 N9 C41 8.3(2) . . . . ? N3 Eu1 N9 C41 81.3(2) . . . . ? Eu2 O4 N10 C46 117.7(2) . . . . ? Eu2 O4 N10 C50 -64.6(3) . . . . ? O6 Eu2 N11 C55 -112.5(2) . . . . ? O4 Eu2 N11 C55 147.6(2) . . . . ? O5 Eu2 N11 C55 -60.7(2) . . . . ? N12 Eu2 N11 C55 -24.56(19) . . . . ? N18 Eu2 N11 C55 119.1(2) . . . . ? N15 Eu2 N11 C55 64.5(2) . . . . ? N14 Eu2 N11 C55 23.3(2) . . . . ? N17 Eu2 N11 C55 -156.60(18) . . . . ? N13 Eu2 N11 C55 -52.3(3) . . . . ? O6 Eu2 N11 C51 88.0(2) . . . . ? O4 Eu2 N11 C51 -11.9(2) . . . . ? O5 Eu2 N11 C51 139.7(2) . . . . ? N12 Eu2 N11 C51 175.9(2) . . . . ? N18 Eu2 N11 C51 -40.5(3) . . . . ? N15 Eu2 N11 C51 -95.0(2) . . . . ? N14 Eu2 N11 C51 -136.2(2) . . . . ? N17 Eu2 N11 C51 43.9(2) . . . . ? N13 Eu2 N11 C51 148.2(2) . . . . ? O6 Eu2 N12 C60 -102.2(2) . . . . ? O4 Eu2 N12 C60 176.6(2) . . . . ? O5 Eu2 N12 C60 -19.0(2) . . . . ? N18 Eu2 N12 C60 49.4(3) . . . . ? N15 Eu2 N12 C60 113.6(2) . . . . ? N14 Eu2 N12 C60 51.1(2) . . . . ? N11 Eu2 N12 C60 -173.5(3) . . . . ? N17 Eu2 N12 C60 -65.0(3) . . . . ? N13 Eu2 N12 C60 -4.4(2) . . . . ? O6 Eu2 N12 C56 93.6(2) . . . . ? O4 Eu2 N12 C56 12.5(3) . . . . ? O5 Eu2 N12 C56 176.8(2) . . . . ? N18 Eu2 N12 C56 -114.7(2) . . . . ? N15 Eu2 N12 C56 -50.6(2) . . . . ? N14 Eu2 N12 C56 -113.0(2) . . . . ? N11 Eu2 N12 C56 22.3(2) . . . . ? N17 Eu2 N12 C56 130.8(2) . . . . ? N13 Eu2 N12 C56 -168.5(2) . . . . ? Eu2 O5 N13 C61 106.6(2) . . . . ? Eu2 O5 N13 C65 -74.3(3) . . . . ? O6 Eu2 N13 O5 38.67(19) . . . . ? O4 Eu2 N13 O5 138.44(17) . . . . ? N12 Eu2 N13 O5 -40.57(19) . . . . ? N18 Eu2 N13 O5 170.3(2) . . . . ? N15 Eu2 N13 O5 -122.88(18) . . . . ? N14 Eu2 N13 O5 -104.34(19) . . . . ? N11 Eu2 N13 O5 -16.0(3) . . . . ? N17 Eu2 N13 O5 100.24(19) . . . . ? O6 Eu2 N13 C61 -60.2(2) . . . . ? O4 Eu2 N13 C61 39.5(3) . . . . ? O5 Eu2 N13 C61 -98.9(3) . . . . ? N12 Eu2 N13 C61 -139.5(2) . . . . ? N18 Eu2 N13 C61 71.4(2) . . . . ? N15 Eu2 N13 C61 138.2(2) . . . . ? N14 Eu2 N13 C61 156.8(3) . . . . ? N11 Eu2 N13 C61 -114.9(3) . . . . ? N17 Eu2 N13 C61 1.3(2) . . . . ? O6 Eu2 N13 C65 160.17(19) . . . . ? O4 Eu2 N13 C65 -100.1(2) . . . . ? O5 Eu2 N13 C65 121.5(3) . . . . ? N12 Eu2 N13 C65 80.93(19) . . . . ? N18 Eu2 N13 C65 -68.19(19) . . . . ? N15 Eu2 N13 C65 -1.4(2) . . . . ? N14 Eu2 N13 C65 17.15(18) . . . . ? N11 Eu2 N13 C65 105.5(2) . . . . ? N17 Eu2 N13 C65 -138.3(2) . . . . ? O6 Eu2 N14 C70 98.7(2) . . . . ? O4 Eu2 N14 C70 -72.3(2) . . . . ? O5 Eu2 N14 C70 141.6(2) . . . . ? N12 Eu2 N14 C70 56.1(2) . . . . ? N18 Eu2 N14 C70 -125.0(2) . . . . ? N15 Eu2 N14 C70 -33.51(19) . . . . ? N11 Eu2 N14 C70 11.8(2) . . . . ? N17 Eu2 N14 C70 -168.32(18) . . . . ? N13 Eu2 N14 C70 165.1(2) . . . . ? O6 Eu2 N14 C66 -61.3(3) . . . . ? O4 Eu2 N14 C66 127.7(2) . . . . ? O5 Eu2 N14 C66 -18.4(2) . . . . ? N12 Eu2 N14 C66 -104.0(2) . . . . ? N18 Eu2 N14 C66 75.0(2) . . . . ? N15 Eu2 N14 C66 166.5(3) . . . . ? N11 Eu2 N14 C66 -148.2(2) . . . . ? N17 Eu2 N14 C66 31.7(3) . . . . ? N13 Eu2 N14 C66 5.1(2) . . . . ? O6 Eu2 N15 C75 50.9(3) . . . . ? O4 Eu2 N15 C75 -25.7(2) . . . . ? O5 Eu2 N15 C75 178.5(2) . . . . ? N12 Eu2 N15 C75 111.1(2) . . . . ? N18 Eu2 N15 C75 -100.4(2) . . . . ? N14 Eu2 N15 C75 -175.7(2) . . . . ? N11 Eu2 N15 C75 46.7(2) . . . . ? N17 Eu2 N15 C75 -70.4(3) . . . . ? N13 Eu2 N15 C75 -157.3(2) . . . . ? O6 Eu2 N15 C71 -95.3(2) . . . . ? O4 Eu2 N15 C71 -171.9(2) . . . . ? O5 Eu2 N15 C71 32.3(2) . . . . ? N12 Eu2 N15 C71 -35.1(2) . . . . ? N18 Eu2 N15 C71 113.4(2) . . . . ? N14 Eu2 N15 C71 38.09(19) . . . . ? N11 Eu2 N15 C71 -99.4(2) . . . . ? N17 Eu2 N15 C71 143.43(19) . . . . ? N13 Eu2 N15 C71 56.5(2) . . . . ? Eu2 O6 N16 C80 72.1(3) . . . . ? Eu2 O6 N16 C76 -112.0(3) . . . . ? O6 Eu2 N17 C81 -1.7(2) . . . . ? O4 Eu2 N17 C81 95.6(2) . . . . ? O5 Eu2 N17 C81 -89.3(2) . . . . ? N12 Eu2 N17 C81 -41.4(3) . . . . ? N18 Eu2 N17 C81 174.7(2) . . . . ? N15 Eu2 N17 C81 140.8(2) . . . . ? N14 Eu2 N17 C81 -137.6(2) . . . . ? N11 Eu2 N17 C81 42.3(2) . . . . ? N13 Eu2 N17 C81 -112.5(2) . . . . ? O6 Eu2 N17 C85 -154.5(2) . . . . ? O4 Eu2 N17 C85 -57.06(19) . . . . ? O5 Eu2 N17 C85 118.0(2) . . . . ? N12 Eu2 N17 C85 165.93(18) . . . . ? N18 Eu2 N17 C85 21.97(19) . . . . ? N15 Eu2 N17 C85 -11.9(3) . . . . ? N14 Eu2 N17 C85 69.7(2) . . . . ? N11 Eu2 N17 C85 -110.4(2) . . . . ? N13 Eu2 N17 C85 94.8(2) . . . . ? O6 Eu2 N18 C90 173.47(19) . . . . ? O4 Eu2 N18 C90 -109.9(2) . . . . ? O5 Eu2 N18 C90 97.8(2) . . . . ? N12 Eu2 N18 C90 31.7(3) . . . . ? N15 Eu2 N18 C90 -31.5(2) . . . . ? N14 Eu2 N18 C90 30.0(2) . . . . ? N11 Eu2 N18 C90 -82.1(2) . . . . ? N17 Eu2 N18 C90 169.0(2) . . . . ? N13 Eu2 N18 C90 94.1(2) . . . . ? O6 Eu2 N18 C86 -3.9(2) . . . . ? O4 Eu2 N18 C86 72.8(2) . . . . ? O5 Eu2 N18 C86 -79.6(2) . . . . ? N12 Eu2 N18 C86 -145.6(2) . . . . ? N15 Eu2 N18 C86 151.1(2) . . . . ? N14 Eu2 N18 C86 -147.3(2) . . . . ? N11 Eu2 N18 C86 100.5(2) . . . . ? N17 Eu2 N18 C86 -8.30(19) . . . . ? N13 Eu2 N18 C86 -83.3(2) . . . . ? C5 N1 C1 C2 -2.2(4) . . . . ? Eu1 N1 C1 C2 148.3(2) . . . . ? N1 C1 C2 C3 -1.8(5) . . . . ? C1 C2 C3 C4 3.0(5) . . . . ? C2 C3 C4 C5 -0.2(5) . . . . ? C1 N1 C5 C4 5.1(4) . . . . ? Eu1 N1 C5 C4 -147.6(2) . . . . ? C1 N1 C5 C6 -172.7(2) . . . . ? Eu1 N1 C5 C6 34.6(3) . . . . ? C3 C4 C5 N1 -4.0(5) . . . . ? C3 C4 C5 C6 173.7(3) . . . . ? C10 N2 C6 C7 -3.7(4) . . . . ? Eu1 N2 C6 C7 159.1(2) . . . . ? C10 N2 C6 C5 172.5(3) . . . . ? Eu1 N2 C6 C5 -24.6(3) . . . . ? N1 C5 C6 N2 -6.8(4) . . . . ? C4 C5 C6 N2 175.3(3) . . . . ? N1 C5 C6 C7 169.5(3) . . . . ? C4 C5 C6 C7 -8.4(4) . . . . ? N2 C6 C7 C8 2.2(4) . . . . ? C5 C6 C7 C8 -173.9(3) . . . . ? C6 C7 C8 C9 1.5(5) . . . . ? C7 C8 C9 C10 -3.5(5) . . . . ? C6 N2 C10 C9 1.6(4) . . . . ? Eu1 N2 C10 C9 -159.9(2) . . . . ? C6 N2 C10 C11 -173.4(3) . . . . ? Eu1 N2 C10 C11 25.1(4) . . . . ? C8 C9 C10 N2 2.0(5) . . . . ? C8 C9 C10 C11 177.0(3) . . . . ? O1 N3 C11 C12 -178.1(2) . . . . ? C15 N3 C11 C12 3.3(4) . . . . ? Eu1 N3 C11 C12 -138.9(2) . . . . ? O1 N3 C11 C10 1.5(4) . . . . ? C15 N3 C11 C10 -177.1(3) . . . . ? Eu1 N3 C11 C10 40.7(3) . . . . ? N2 C10 C11 N3 -50.6(4) . . . . ? C9 C10 C11 N3 134.2(3) . . . . ? N2 C10 C11 C12 129.0(3) . . . . ? C9 C10 C11 C12 -46.2(4) . . . . ? N3 C11 C12 C13 -0.5(4) . . . . ? C10 C11 C12 C13 179.8(3) . . . . ? C11 C12 C13 C14 -1.6(5) . . . . ? C12 C13 C14 C15 1.1(5) . . . . ? O1 N3 C15 C14 177.6(3) . . . . ? C11 N3 C15 C14 -3.8(4) . . . . ? Eu1 N3 C15 C14 129.6(3) . . . . ? C13 C14 C15 N3 1.5(5) . . . . ? O2 N4 C16 C17 -178.7(3) . . . . ? C20 N4 C16 C17 -1.6(5) . . . . ? N4 C16 C17 C18 0.6(5) . . . . ? C16 C17 C18 C19 0.3(5) . . . . ? C17 C18 C19 C20 -0.2(5) . . . . ? O2 N4 C20 C19 178.6(2) . . . . ? C16 N4 C20 C19 1.6(4) . . . . ? O2 N4 C20 C21 1.9(4) . . . . ? C16 N4 C20 C21 -175.1(3) . . . . ? C18 C19 C20 N4 -0.7(4) . . . . ? C18 C19 C20 C21 176.0(3) . . . . ? C25 N5 C21 C22 4.9(4) . . . . ? Eu1 N5 C21 C22 -151.7(2) . . . . ? C25 N5 C21 C20 -171.2(3) . . . . ? Eu1 N5 C21 C20 32.2(3) . . . . ? N4 C20 C21 N5 -50.8(4) . . . . ? C19 C20 C21 N5 132.6(3) . . . . ? N4 C20 C21 C22 132.9(3) . . . . ? C19 C20 C21 C22 -43.8(4) . . . . ? N5 C21 C22 C23 -1.3(5) . . . . ? C20 C21 C22 C23 174.9(3) . . . . ? C21 C22 C23 C24 -1.3(5) . . . . ? C22 C23 C24 C25 0.0(5) . . . . ? C21 N5 C25 C24 -6.1(4) . . . . ? Eu1 N5 C25 C24 152.4(2) . . . . ? C21 N5 C25 C26 172.1(3) . . . . ? Eu1 N5 C25 C26 -29.4(3) . . . . ? C23 C24 C25 N5 3.9(5) . . . . ? C23 C24 C25 C26 -174.3(3) . . . . ? C30 N6 C26 C27 3.2(5) . . . . ? Eu1 N6 C26 C27 -166.6(3) . . . . ? C30 N6 C26 C25 -173.6(3) . . . . ? Eu1 N6 C26 C25 16.6(3) . . . . ? N5 C25 C26 N6 9.4(4) . . . . ? C24 C25 C26 N6 -172.4(3) . . . . ? N5 C25 C26 C27 -167.5(3) . . . . ? C24 C25 C26 C27 10.7(5) . . . . ? N6 C26 C27 C28 -1.9(5) . . . . ? C25 C26 C27 C28 174.8(3) . . . . ? C26 C27 C28 C29 -1.3(6) . . . . ? C27 C28 C29 C30 3.0(6) . . . . ? C26 N6 C30 C29 -1.5(5) . . . . ? Eu1 N6 C30 C29 168.0(3) . . . . ? C28 C29 C30 N6 -1.7(5) . . . . ? O3 N7 C31 C32 172.9(3) . . . . ? C35 N7 C31 C32 -3.1(5) . . . . ? N7 C31 C32 C33 0.3(5) . . . . ? C31 C32 C33 C34 1.9(5) . . . . ? C32 C33 C34 C35 -1.5(5) . . . . ? O3 N7 C35 C34 -172.5(3) . . . . ? C31 N7 C35 C34 3.5(5) . . . . ? O3 N7 C35 C36 10.5(4) . . . . ? C31 N7 C35 C36 -173.5(3) . . . . ? C33 C34 C35 N7 -1.2(5) . . . . ? C33 C34 C35 C36 175.8(3) . . . . ? C40 N8 C36 C37 -7.8(4) . . . . ? Eu1 N8 C36 C37 145.7(3) . . . . ? C40 N8 C36 C35 165.4(3) . . . . ? Eu1 N8 C36 C35 -41.0(3) . . . . ? N7 C35 C36 N8 46.5(4) . . . . ? C34 C35 C36 N8 -130.4(3) . . . . ? N7 C35 C36 C37 -140.0(3) . . . . ? C34 C35 C36 C37 43.1(4) . . . . ? N8 C36 C37 C38 1.9(5) . . . . ? C35 C36 C37 C38 -171.3(3) . . . . ? C36 C37 C38 C39 3.7(5) . . . . ? C37 C38 C39 C40 -3.2(5) . . . . ? C36 N8 C40 C39 8.2(4) . . . . ? Eu1 N8 C40 C39 -147.3(3) . . . . ? C36 N8 C40 C41 -173.1(3) . . . . ? Eu1 N8 C40 C41 31.4(3) . . . . ? C38 C39 C40 N8 -2.8(5) . . . . ? C38 C39 C40 C41 178.5(3) . . . . ? C45 N9 C41 C42 3.8(4) . . . . ? Eu1 N9 C41 C42 -175.5(2) . . . . ? C45 N9 C41 C40 -177.5(2) . . . . ? Eu1 N9 C41 C40 3.2(3) . . . . ? N8 C40 C41 N9 -24.1(4) . . . . ? C39 C40 C41 N9 154.6(3) . . . . ? N8 C40 C41 C42 154.7(3) . . . . ? C39 C40 C41 C42 -26.6(4) . . . . ? N9 C41 C42 C43 -2.2(5) . . . . ? C40 C41 C42 C43 179.1(3) . . . . ? C41 C42 C43 C44 -0.7(5) . . . . ? C42 C43 C44 C45 1.8(5) . . . . ? C41 N9 C45 C44 -2.6(4) . . . . ? Eu1 N9 C45 C44 176.7(2) . . . . ? C43 C44 C45 N9 -0.2(5) . . . . ? O4 N10 C46 C47 179.4(3) . . . . ? C50 N10 C46 C47 1.7(5) . . . . ? N10 C46 C47 C48 -0.7(5) . . . . ? C46 C47 C48 C49 -0.2(5) . . . . ? C47 C48 C49 C50 0.3(5) . . . . ? O4 N10 C50 C49 -179.2(3) . . . . ? C46 N10 C50 C49 -1.6(4) . . . . ? O4 N10 C50 C51 -1.3(4) . . . . ? C46 N10 C50 C51 176.3(3) . . . . ? C48 C49 C50 N10 0.6(5) . . . . ? C48 C49 C50 C51 -177.3(3) . . . . ? C55 N11 C51 C52 -5.0(4) . . . . ? Eu2 N11 C51 C52 154.0(2) . . . . ? C55 N11 C51 C50 172.0(3) . . . . ? Eu2 N11 C51 C50 -29.0(4) . . . . ? N10 C50 C51 N11 47.3(4) . . . . ? C49 C50 C51 N11 -134.8(3) . . . . ? N10 C50 C51 C52 -135.5(3) . . . . ? C49 C50 C51 C52 42.4(4) . . . . ? N11 C51 C52 C53 1.9(5) . . . . ? C50 C51 C52 C53 -175.2(3) . . . . ? C51 C52 C53 C54 1.3(5) . . . . ? C52 C53 C54 C55 -1.4(5) . . . . ? C51 N11 C55 C54 4.9(4) . . . . ? Eu2 N11 C55 C54 -155.8(2) . . . . ? C51 N11 C55 C56 -173.2(3) . . . . ? Eu2 N11 C55 C56 26.1(3) . . . . ? C53 C54 C55 N11 -1.8(5) . . . . ? C53 C54 C55 C56 176.3(3) . . . . ? C60 N12 C56 C57 -3.5(4) . . . . ? Eu2 N12 C56 C57 161.1(2) . . . . ? C60 N12 C56 C55 176.5(3) . . . . ? Eu2 N12 C56 C55 -18.9(3) . . . . ? N11 C55 C56 N12 -5.6(4) . . . . ? C54 C55 C56 N12 176.2(3) . . . . ? N11 C55 C56 C57 174.4(3) . . . . ? C54 C55 C56 C57 -3.8(5) . . . . ? N12 C56 C57 C58 1.7(5) . . . . ? C55 C56 C57 C58 -178.3(3) . . . . ? C56 C57 C58 C59 1.5(6) . . . . ? C57 C58 C59 C60 -2.8(5) . . . . ? C56 N12 C60 C59 2.3(5) . . . . ? Eu2 N12 C60 C59 -161.9(2) . . . . ? C58 C59 C60 N12 0.9(5) . . . . ? O5 N13 C61 C62 -179.4(3) . . . . ? C65 N13 C61 C62 1.6(4) . . . . ? Eu2 N13 C61 C62 -130.2(3) . . . . ? N13 C61 C62 C63 -1.3(5) . . . . ? C61 C62 C63 C64 -0.6(5) . . . . ? C62 C63 C64 C65 2.3(5) . . . . ? O5 N13 C65 C64 -178.9(3) . . . . ? C61 N13 C65 C64 0.1(4) . . . . ? Eu2 N13 C65 C64 139.4(3) . . . . ? O5 N13 C65 C66 2.9(4) . . . . ? C61 N13 C65 C66 -178.1(3) . . . . ? Eu2 N13 C65 C66 -38.8(3) . . . . ? C63 C64 C65 N13 -2.1(5) . . . . ? C63 C64 C65 C66 176.1(3) . . . . ? C70 N14 C66 C67 -2.4(4) . . . . ? Eu2 N14 C66 C67 157.3(2) . . . . ? C70 N14 C66 C65 173.2(3) . . . . ? Eu2 N14 C66 C65 -27.1(4) . . . . ? N13 C65 C66 N14 49.3(4) . . . . ? C64 C65 C66 N14 -128.9(3) . . . . ? N13 C65 C66 C67 -134.9(3) . . . . ? C64 C65 C66 C67 46.9(4) . . . . ? N14 C66 C67 C68 -1.4(5) . . . . ? C65 C66 C67 C68 -176.9(3) . . . . ? C66 C67 C68 C69 3.7(5) . . . . ? C67 C68 C69 C70 -2.3(5) . . . . ? C66 N14 C70 C69 4.0(4) . . . . ? Eu2 N14 C70 C69 -157.7(2) . . . . ? C66 N14 C70 C71 -171.6(3) . . . . ? Eu2 N14 C70 C71 26.7(3) . . . . ? C68 C69 C70 N14 -1.7(5) . . . . ? C68 C69 C70 C71 173.6(3) . . . . ? C75 N15 C71 C72 -5.9(4) . . . . ? Eu2 N15 C71 C72 141.3(3) . . . . ? C75 N15 C71 C70 171.4(3) . . . . ? Eu2 N15 C71 C70 -41.4(3) . . . . ? N14 C70 C71 N15 10.0(4) . . . . ? C69 C70 C71 N15 -165.6(3) . . . . ? N14 C70 C71 C72 -172.7(3) . . . . ? C69 C70 C71 C72 11.7(5) . . . . ? N15 C71 C72 C73 3.2(5) . . . . ? C70 C71 C72 C73 -173.9(3) . . . . ? C71 C72 C73 C74 2.3(5) . . . . ? C72 C73 C74 C75 -4.8(5) . . . . ? C71 N15 C75 C74 3.2(4) . . . . ? Eu2 N15 C75 C74 -141.2(3) . . . . ? C73 C74 C75 N15 2.1(5) . . . . ? O6 N16 C76 C77 -172.5(3) . . . . ? C80 N16 C76 C77 3.3(5) . . . . ? N16 C76 C77 C78 -1.0(5) . . . . ? C76 C77 C78 C79 -1.5(5) . . . . ? C77 C78 C79 C80 1.7(5) . . . . ? O6 N16 C80 C79 172.7(3) . . . . ? C76 N16 C80 C79 -3.0(4) . . . . ? O6 N16 C80 C81 -8.7(4) . . . . ? C76 N16 C80 C81 175.6(3) . . . . ? C78 C79 C80 N16 0.4(4) . . . . ? C78 C79 C80 C81 -178.2(3) . . . . ? C85 N17 C81 C82 8.8(4) . . . . ? Eu2 N17 C81 C82 -143.3(2) . . . . ? C85 N17 C81 C80 -164.1(3) . . . . ? Eu2 N17 C81 C80 43.8(3) . . . . ? N16 C80 C81 N17 -47.6(4) . . . . ? C79 C80 C81 N17 130.9(3) . . . . ? N16 C80 C81 C82 139.1(3) . . . . ? C79 C80 C81 C82 -42.4(4) . . . . ? N17 C81 C82 C83 -3.4(5) . . . . ? C80 C81 C82 C83 169.5(3) . . . . ? C81 C82 C83 C84 -4.0(5) . . . . ? C82 C83 C84 C85 5.6(4) . . . . ? C81 N17 C85 C84 -7.0(4) . . . . ? Eu2 N17 C85 C84 147.4(2) . . . . ? C81 N17 C85 C86 171.6(2) . . . . ? Eu2 N17 C85 C86 -33.9(3) . . . . ? C83 C84 C85 N17 0.0(4) . . . . ? C83 C84 C85 C86 -178.6(3) . . . . ? C90 N18 C86 C87 -4.1(4) . . . . ? Eu2 N18 C86 C87 173.4(2) . . . . ? C90 N18 C86 C85 177.6(2) . . . . ? Eu2 N18 C86 C85 -4.9(3) . . . . ? N17 C85 C86 N18 26.9(4) . . . . ? C84 C85 C86 N18 -154.4(3) . . . . ? N17 C85 C86 C87 -151.4(3) . . . . ? C84 C85 C86 C87 27.3(4) . . . . ? N18 C86 C87 C88 2.3(5) . . . . ? C85 C86 C87 C88 -179.5(3) . . . . ? C86 C87 C88 C89 1.1(5) . . . . ? C87 C88 C89 C90 -2.5(5) . . . . ? C86 N18 C90 C89 2.7(4) . . . . ? Eu2 N18 C90 C89 -174.7(2) . . . . ? C88 C89 C90 N18 0.6(5) . . . . ? _diffrn_measured_fraction_theta_max 0.953 _diffrn_reflns_theta_full 27.46 _diffrn_measured_fraction_theta_full 0.953 _refine_diff_density_max 1.803 _refine_diff_density_min -1.126 _refine_diff_density_rms 0.101 # Attachment 'eu2.cif' data_s922 _database_code_depnum_ccdc_archive 'CCDC 631770' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C49 H40 Cl3 Eu N11 O18.50' _chemical_formula_weight 1337.23 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' Cl Cl 0.1484 0.1585 '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 Monoclinic _symmetry_space_group_name_H-M C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 23.635(5) _cell_length_b 16.988(3) _cell_length_c 26.075(5) _cell_angle_alpha 90.00 _cell_angle_beta 100.52(3) _cell_angle_gamma 90.00 _cell_volume 10293(3) _cell_formula_units_Z 8 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 73022 _cell_measurement_theta_min 1.00 _cell_measurement_theta_max 27.48 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.726 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5384 _exptl_absorpt_coefficient_mu 1.464 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.682 _exptl_absorpt_correction_T_max 0.899 _exptl_absorpt_process_details 'SORTAV (Blessing, 1995)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker Nonius kappa CCD area detector' _diffrn_measurement_method 'phi & omega scan to fill Ewald sphere' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 40031 _diffrn_reflns_av_R_equivalents 0.1110 _diffrn_reflns_av_sigmaI/netI 0.1132 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_h_max 30 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -33 _diffrn_reflns_limit_l_max 32 _diffrn_reflns_theta_min 1.48 _diffrn_reflns_theta_max 27.48 _reflns_number_total 11702 _reflns_number_gt 7473 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'COLLECT (Hooft, 1998)' _computing_cell_refinement 'SCALEPACK & DENZO (Otwinoski & Minor, 1997)' _computing_data_reduction 'DENZO (Otwinowski & Minor, 1997)' _computing_structure_solution 'SHELXL-97 (Sheldrick,1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP-3 for Windows (Farrugia, 1997)' _computing_publication_material ? _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. ; _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^)+(0.1284P)^2^+432.9243P] 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 ; Hs of partially occupied water ignored; others incld in calc posns, riding model ; _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 11702 _refine_ls_number_parameters 746 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1358 _refine_ls_R_factor_gt 0.0863 _refine_ls_wR_factor_ref 0.2784 _refine_ls_wR_factor_gt 0.2491 _refine_ls_goodness_of_fit_ref 1.020 _refine_ls_restrained_S_all 1.020 _refine_ls_shift/su_max 0.000 _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 O01 O 0.5000 0.3878(10) -0.2500 0.064(4) Uani 1 2 d S . . N01 N 0.6327(6) 0.0580(7) 0.2113(5) 0.051(3) Uani 1 1 d . . . C01 C 0.6762(6) 0.0402(7) 0.2356(5) 0.036(3) Uani 1 1 d . . . C02 C 0.7322(7) 0.0178(9) 0.2649(6) 0.052(4) Uani 1 1 d . . . H02A H 0.7385 -0.0386 0.2602 0.078 Uiso 1 1 calc R . . H02B H 0.7337 0.0289 0.3020 0.078 Uiso 1 1 calc R . . H02C H 0.7623 0.0480 0.2524 0.078 Uiso 1 1 calc R . . N02 N 0.5474(8) -0.1116(9) 0.2060(7) 0.087(5) Uani 1 1 d . . . C03 C 0.5733(8) -0.1083(8) 0.2477(6) 0.051(4) Uani 1 1 d . . . C04 C 0.6063(7) -0.1045(10) 0.2998(6) 0.057(4) Uani 1 1 d . . . H04A H 0.6424 -0.1336 0.3013 0.085 Uiso 1 1 calc R . . H04B H 0.5842 -0.1279 0.3242 0.085 Uiso 1 1 calc R . . H04C H 0.6149 -0.0494 0.3093 0.085 Uiso 1 1 calc R . . Eu1 Eu 0.47530(2) 0.25388(3) 0.023011(18) 0.01489(17) Uani 1 1 d . . . Cl1 Cl 0.35692(14) 0.52165(18) 0.17819(12) 0.0363(7) Uani 1 1 d . . . Cl2 Cl 0.27049(13) 0.95696(17) 0.08515(12) 0.0319(6) Uani 1 1 d . . . Cl3 Cl 0.25333(13) 0.22389(16) -0.25409(10) 0.0271(6) Uani 1 1 d . . . O1 O 0.4512(3) 0.1615(4) -0.0448(3) 0.0181(15) Uani 1 1 d . . . O2 O 0.5031(3) 0.2540(4) 0.1145(3) 0.0204(15) Uani 1 1 d . . . O3 O 0.5489(3) 0.3475(4) 0.0466(3) 0.0198(15) Uani 1 1 d . . . O4 O 0.3729(3) 0.2489(4) -0.0011(3) 0.0194(14) Uani 1 1 d . . . O5 O 0.5467(3) 0.1562(4) 0.0354(3) 0.0200(15) Uani 1 1 d . . . O6 O 0.4559(3) 0.3572(4) -0.0369(3) 0.0212(15) Uani 1 1 d . . . O7 O 0.3687(7) 0.5859(6) 0.2121(4) 0.078(4) Uani 1 1 d . . . O8 O 0.3291(6) 0.4586(8) 0.2009(6) 0.089(4) Uani 1 1 d . . . O9 O 0.3215(7) 0.5474(9) 0.1324(5) 0.106(5) Uani 1 1 d . . . O10 O 0.4075(7) 0.4918(9) 0.1658(9) 0.133(8) Uani 1 1 d . . . O11 O 0.2756(5) 0.8958(6) 0.1231(4) 0.053(3) Uani 1 1 d . . . O12 O 0.2240(4) 1.0092(6) 0.0918(4) 0.046(2) Uani 1 1 d . . . O13 O 0.2594(4) 0.9232(5) 0.0333(3) 0.040(2) Uani 1 1 d . . . O14 O 0.3225(4) 1.0017(6) 0.0914(4) 0.053(3) Uani 1 1 d . . . O15 O 0.2842(4) 0.1726(5) -0.2148(4) 0.044(2) Uani 1 1 d . . . O16 O 0.2022(4) 0.1859(5) -0.2814(3) 0.042(2) Uani 1 1 d . . . O17 O 0.2370(4) 0.2938(6) -0.2302(4) 0.048(2) Uani 1 1 d . . . O18 O 0.2904(4) 0.2436(6) -0.2900(4) 0.046(2) Uani 1 1 d . . . N1 N 0.4059(4) 0.1136(5) -0.0541(3) 0.0183(18) Uani 1 1 d . . . N2 N 0.4351(4) 0.1188(5) 0.0658(3) 0.0175(17) Uani 1 1 d . . . N3 N 0.4679(4) 0.2426(5) 0.1483(4) 0.0239(19) Uani 1 1 d . . . N4 N 0.5578(4) 0.3940(5) 0.0878(3) 0.0181(17) Uani 1 1 d . . . N5 N 0.4267(4) 0.3831(5) 0.0635(3) 0.0160(17) Uani 1 1 d . . . N6 N 0.3375(4) 0.2543(5) 0.0335(4) 0.0195(17) Uani 1 1 d . . . N7 N 0.6000(4) 0.1806(5) 0.0543(3) 0.0188(18) Uani 1 1 d . . . N8 N 0.5476(4) 0.2626(5) -0.0453(3) 0.0197(18) Uani 1 1 d . . . N9 N 0.4343(4) 0.3370(5) -0.0853(4) 0.025(2) Uani 1 1 d . . . C1 C 0.3711(5) 0.1177(6) -0.1010(4) 0.023(2) Uani 1 1 d . . . H1 H 0.3786 0.1555 -0.1258 0.028 Uiso 1 1 calc R . . C2 C 0.3243(5) 0.0673(6) -0.1135(4) 0.027(2) Uani 1 1 d . . . H2 H 0.2998 0.0706 -0.1467 0.032 Uiso 1 1 calc R . . C3 C 0.3139(5) 0.0127(6) -0.0778(5) 0.027(2) Uani 1 1 d . . . H3 H 0.2818 -0.0218 -0.0858 0.032 Uiso 1 1 calc R . . C4 C 0.3499(5) 0.0082(6) -0.0305(4) 0.022(2) Uani 1 1 d . . . H4 H 0.3434 -0.0303 -0.0058 0.027 Uiso 1 1 calc R . . C5 C 0.3964(5) 0.0604(6) -0.0183(4) 0.021(2) Uani 1 1 d . . . C6 C 0.4336(4) 0.0563(6) 0.0342(4) 0.018(2) Uani 1 1 d . . . C7 C 0.4587(5) -0.0162(6) 0.0511(4) 0.026(2) Uani 1 1 d . . . H7 H 0.4568 -0.0595 0.0278 0.032 Uiso 1 1 calc R . . C8 C 0.4860(5) -0.0231(6) 0.1019(4) 0.026(2) Uani 1 1 d . . . H8 H 0.5070 -0.0696 0.1132 0.031 Uiso 1 1 calc R . . C9 C 0.4832(5) 0.0376(6) 0.1370(4) 0.028(2) Uani 1 1 d . . . H9 H 0.4983 0.0318 0.1731 0.033 Uiso 1 1 calc R . . C10 C 0.4574(5) 0.1069(6) 0.1170(4) 0.022(2) Uani 1 1 d . . . C11 C 0.4466(5) 0.1704(6) 0.1534(4) 0.022(2) Uani 1 1 d . . . C12 C 0.4122(5) 0.1580(7) 0.1906(5) 0.035(3) Uani 1 1 d . . . H12 H 0.3968 0.1072 0.1948 0.042 Uiso 1 1 calc R . . C13 C 0.4005(6) 0.2196(8) 0.2212(5) 0.040(3) Uani 1 1 d . . . H13 H 0.3784 0.2106 0.2476 0.048 Uiso 1 1 calc R . . C14 C 0.4208(6) 0.2952(7) 0.2139(4) 0.032(3) Uani 1 1 d . . . H14 H 0.4111 0.3387 0.2335 0.039 Uiso 1 1 calc R . . C15 C 0.4554(5) 0.3044(6) 0.1773(4) 0.027(2) Uani 1 1 d . . . H15 H 0.4708 0.3549 0.1723 0.033 Uiso 1 1 calc R . . C16 C 0.6083(5) 0.3899(6) 0.1207(4) 0.027(2) Uani 1 1 d . . . H16 H 0.6363 0.3532 0.1139 0.032 Uiso 1 1 calc R . . C17 C 0.6209(5) 0.4377(6) 0.1645(4) 0.027(2) Uani 1 1 d . . . H17 H 0.6565 0.4329 0.1880 0.032 Uiso 1 1 calc R . . C18 C 0.5804(5) 0.4925(6) 0.1732(4) 0.027(2) Uani 1 1 d . . . H18 H 0.5882 0.5269 0.2024 0.032 Uiso 1 1 calc R . . C19 C 0.5290(5) 0.4964(6) 0.1392(4) 0.023(2) Uani 1 1 d . . . H19 H 0.5010 0.5336 0.1454 0.028 Uiso 1 1 calc R . . C20 C 0.5167(5) 0.4468(6) 0.0955(4) 0.024(2) Uani 1 1 d . . . C21 C 0.4589(5) 0.4473(6) 0.0626(4) 0.024(2) Uani 1 1 d . . . C22 C 0.4379(5) 0.5182(5) 0.0386(4) 0.021(2) Uani 1 1 d . . . H22 H 0.4624 0.5620 0.0366 0.025 Uiso 1 1 calc R . . C23 C 0.3801(5) 0.5212(6) 0.0183(4) 0.029(3) Uani 1 1 d . . . H23 H 0.3645 0.5667 -0.0002 0.035 Uiso 1 1 calc R . . C24 C 0.3445(5) 0.4593(6) 0.0243(5) 0.026(2) Uani 1 1 d . . . H24 H 0.3040 0.4631 0.0133 0.031 Uiso 1 1 calc R . . C25 C 0.3699(5) 0.3909(6) 0.0471(4) 0.019(2) Uani 1 1 d . . . C26 C 0.3339(5) 0.3249(6) 0.0575(4) 0.021(2) Uani 1 1 d . . . C27 C 0.2976(5) 0.3289(7) 0.0940(4) 0.025(2) Uani 1 1 d . . . H27 H 0.2950 0.3770 0.1121 0.030 Uiso 1 1 calc R . . C28 C 0.2656(5) 0.2657(7) 0.1048(5) 0.032(3) Uani 1 1 d . . . H28 H 0.2405 0.2695 0.1293 0.038 Uiso 1 1 calc R . . C29 C 0.2711(5) 0.1956(7) 0.0782(5) 0.031(3) Uani 1 1 d . . . H29 H 0.2497 0.1506 0.0848 0.037 Uiso 1 1 calc R . . C30 C 0.3072(5) 0.1912(6) 0.0426(5) 0.031(3) Uani 1 1 d . . . H30 H 0.3107 0.1434 0.0245 0.038 Uiso 1 1 calc R . . C31 C 0.6241(5) 0.1602(6) 0.1038(4) 0.024(2) Uani 1 1 d . . . H31 H 0.6030 0.1289 0.1239 0.029 Uiso 1 1 calc R . . C32 C 0.6784(5) 0.1843(7) 0.1248(4) 0.028(2) Uani 1 1 d . . . H32 H 0.6954 0.1680 0.1590 0.033 Uiso 1 1 calc R . . C33 C 0.7094(5) 0.2330(7) 0.0964(4) 0.027(2) Uani 1 1 d . . . H33 H 0.7465 0.2526 0.1109 0.032 Uiso 1 1 calc R . . C34 C 0.6821(5) 0.2512(7) 0.0451(5) 0.035(3) Uani 1 1 d . . . H34 H 0.7023 0.2828 0.0244 0.043 Uiso 1 1 calc R . . C35 C 0.6291(4) 0.2261(6) 0.0239(4) 0.020(2) Uani 1 1 d . . . C36 C 0.6041(4) 0.2447(6) -0.0309(4) 0.0174(19) Uani 1 1 d . . . C37 C 0.6421(5) 0.2466(7) -0.0657(4) 0.031(3) Uani 1 1 d . . . H37 H 0.6805 0.2287 -0.0551 0.037 Uiso 1 1 calc R . . C38 C 0.6238(6) 0.2750(9) -0.1163(5) 0.041(3) Uani 1 1 d . . . H38 H 0.6498 0.2811 -0.1398 0.049 Uiso 1 1 calc R . . C39 C 0.5667(5) 0.2936(7) -0.1305(5) 0.028(2) Uani 1 1 d . . . H39 H 0.5523 0.3125 -0.1647 0.033 Uiso 1 1 calc R . . C40 C 0.5299(5) 0.2850(6) -0.0951(4) 0.022(2) Uani 1 1 d . . . C41 C 0.4676(5) 0.3014(6) -0.1155(4) 0.023(2) Uani 1 1 d . . . C42 C 0.4428(5) 0.2836(7) -0.1669(4) 0.030(3) Uani 1 1 d . . . H42 H 0.4650 0.2576 -0.1887 0.036 Uiso 1 1 calc R . . C43 C 0.3858(5) 0.3034(7) -0.1866(5) 0.032(3) Uani 1 1 d . . . H43 H 0.3695 0.2918 -0.2219 0.039 Uiso 1 1 calc R . . C44 C 0.3530(5) 0.3401(7) -0.1546(5) 0.033(3) Uani 1 1 d . . . H44 H 0.3140 0.3536 -0.1675 0.040 Uiso 1 1 calc R . . C45 C 0.3780(5) 0.3562(7) -0.1042(5) 0.028(2) Uani 1 1 d . . . H45 H 0.3559 0.3812 -0.0819 0.033 Uiso 1 1 calc R . . 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 O01 0.057(10) 0.077(11) 0.060(10) 0.000 0.015(8) 0.000 N01 0.066(9) 0.042(7) 0.047(7) 0.005(6) 0.011(7) -0.003(6) C01 0.045(8) 0.034(7) 0.033(7) -0.003(5) 0.015(6) 0.004(6) C02 0.059(10) 0.040(8) 0.052(9) -0.006(7) -0.001(8) 0.010(7) N02 0.105(14) 0.059(9) 0.082(12) 0.001(8) -0.022(10) 0.010(9) C03 0.076(12) 0.031(7) 0.042(8) -0.005(6) -0.001(8) 0.006(7) C04 0.045(9) 0.058(9) 0.062(10) 0.005(8) -0.007(8) 0.002(8) Eu1 0.0136(3) 0.0152(3) 0.0160(3) -0.0002(2) 0.00289(17) -0.0008(2) Cl1 0.0405(18) 0.0390(16) 0.0322(15) -0.0106(13) 0.0141(13) -0.0099(14) Cl2 0.0307(16) 0.0297(14) 0.0347(15) 0.0087(12) 0.0048(12) -0.0018(12) Cl3 0.0286(15) 0.0274(13) 0.0229(13) 0.0012(10) -0.0015(11) -0.0031(11) O1 0.019(4) 0.019(3) 0.015(3) -0.001(3) -0.001(3) -0.006(3) O2 0.026(4) 0.021(3) 0.016(3) 0.000(3) 0.008(3) -0.001(3) O3 0.021(4) 0.017(3) 0.021(4) -0.004(3) 0.004(3) -0.002(3) O4 0.019(4) 0.017(3) 0.023(4) -0.005(3) 0.004(3) 0.001(3) O5 0.015(4) 0.019(3) 0.024(4) -0.006(3) -0.002(3) -0.002(3) O6 0.020(4) 0.024(4) 0.019(4) 0.004(3) 0.001(3) -0.004(3) O7 0.155(13) 0.030(5) 0.034(6) -0.013(4) -0.018(7) 0.009(7) O8 0.094(10) 0.070(8) 0.119(12) 0.005(8) 0.064(9) -0.028(8) O9 0.118(13) 0.110(12) 0.069(9) 0.002(8) -0.041(9) -0.028(10) O10 0.094(12) 0.081(10) 0.26(2) -0.003(12) 0.121(15) 0.012(9) O11 0.077(8) 0.041(5) 0.038(5) 0.018(4) 0.002(5) -0.004(5) O12 0.047(6) 0.048(6) 0.044(5) 0.000(4) 0.009(5) 0.014(5) O13 0.041(6) 0.041(5) 0.037(5) -0.001(4) 0.005(4) 0.003(4) O14 0.037(6) 0.061(6) 0.059(6) 0.001(5) 0.007(5) -0.021(5) O15 0.044(6) 0.031(5) 0.054(6) 0.015(4) -0.002(5) 0.000(4) O16 0.039(5) 0.049(5) 0.034(5) -0.006(4) -0.004(4) -0.016(4) O17 0.037(6) 0.049(6) 0.054(6) -0.018(5) -0.004(5) 0.004(5) O18 0.032(5) 0.077(7) 0.029(5) 0.010(5) 0.004(4) -0.008(5) N1 0.019(5) 0.016(4) 0.020(4) -0.003(3) 0.004(4) -0.004(3) N2 0.018(5) 0.016(4) 0.019(4) 0.002(3) 0.004(3) -0.001(3) N3 0.031(5) 0.016(4) 0.026(5) 0.000(4) 0.008(4) -0.001(4) N4 0.016(4) 0.020(4) 0.016(4) -0.001(3) -0.002(3) -0.003(3) N5 0.014(4) 0.018(4) 0.017(4) -0.002(3) 0.006(3) 0.001(3) N6 0.010(4) 0.020(4) 0.029(5) 0.001(4) 0.005(3) -0.001(3) N7 0.014(4) 0.017(4) 0.024(5) -0.002(3) 0.001(4) 0.006(3) N8 0.019(5) 0.021(4) 0.019(4) -0.004(3) 0.002(3) -0.003(3) N9 0.027(5) 0.020(4) 0.025(5) 0.005(4) 0.000(4) -0.009(4) C1 0.024(6) 0.027(5) 0.018(5) -0.002(4) 0.002(4) -0.001(4) C2 0.027(6) 0.024(5) 0.028(6) -0.005(5) 0.003(5) -0.003(5) C3 0.016(6) 0.025(5) 0.040(7) -0.004(5) 0.007(5) -0.010(4) C4 0.026(6) 0.020(5) 0.021(5) -0.005(4) 0.004(4) -0.006(4) C5 0.020(6) 0.020(5) 0.025(5) -0.005(4) 0.004(4) 0.003(4) C6 0.016(5) 0.018(5) 0.022(5) -0.002(4) 0.003(4) -0.007(4) C7 0.032(7) 0.020(5) 0.030(6) -0.001(4) 0.012(5) -0.006(5) C8 0.033(7) 0.018(5) 0.028(6) 0.000(4) 0.010(5) 0.011(5) C9 0.033(7) 0.027(6) 0.021(5) 0.005(4) 0.002(5) 0.000(5) C10 0.032(6) 0.018(5) 0.017(5) -0.002(4) 0.006(5) 0.004(4) C11 0.027(6) 0.023(5) 0.017(5) -0.007(4) 0.006(4) -0.006(4) C12 0.034(7) 0.035(6) 0.039(7) -0.008(5) 0.013(6) -0.009(5) C13 0.041(8) 0.048(7) 0.035(7) -0.014(6) 0.016(6) -0.006(6) C14 0.041(8) 0.033(6) 0.024(6) -0.006(5) 0.007(5) 0.012(5) C15 0.037(7) 0.021(5) 0.025(6) -0.008(4) 0.007(5) 0.003(5) C16 0.023(6) 0.022(5) 0.031(6) -0.001(5) -0.003(5) 0.010(4) C17 0.023(6) 0.022(5) 0.031(6) 0.005(5) -0.010(5) -0.003(4) C18 0.041(7) 0.022(5) 0.016(5) -0.005(4) 0.000(5) -0.010(5) C19 0.024(6) 0.023(5) 0.022(5) -0.003(4) 0.006(5) -0.001(4) C20 0.035(7) 0.012(4) 0.028(6) -0.002(4) 0.010(5) -0.004(4) C21 0.026(6) 0.019(5) 0.026(6) -0.001(4) 0.009(5) 0.006(4) C22 0.027(6) 0.008(4) 0.030(6) 0.004(4) 0.012(5) -0.002(4) C23 0.038(7) 0.019(5) 0.028(6) 0.004(4) 0.000(5) 0.006(5) C24 0.021(6) 0.022(5) 0.038(6) 0.002(5) 0.011(5) -0.001(4) C25 0.024(6) 0.020(5) 0.015(5) -0.005(4) 0.009(4) 0.000(4) C26 0.017(5) 0.023(5) 0.023(5) -0.002(4) 0.004(4) 0.001(4) C27 0.022(6) 0.033(6) 0.023(5) -0.004(5) 0.011(5) 0.000(5) C28 0.028(7) 0.035(6) 0.035(7) -0.002(5) 0.014(5) -0.001(5) C29 0.022(6) 0.024(5) 0.049(7) 0.003(5) 0.013(5) -0.004(5) C30 0.028(7) 0.017(5) 0.048(7) -0.002(5) 0.005(6) -0.001(5) C31 0.029(6) 0.016(5) 0.022(5) -0.003(4) -0.005(5) 0.002(4) C32 0.029(6) 0.030(6) 0.023(5) -0.006(5) -0.001(5) 0.005(5) C33 0.018(5) 0.041(6) 0.017(5) -0.001(5) -0.007(4) 0.002(5) C34 0.027(6) 0.042(7) 0.041(7) 0.004(6) 0.014(5) 0.009(6) C35 0.014(5) 0.021(5) 0.025(5) -0.002(4) 0.001(4) 0.007(4) C36 0.007(4) 0.021(5) 0.022(5) -0.003(4) -0.002(4) -0.004(4) C37 0.016(5) 0.054(8) 0.023(5) 0.002(5) 0.006(4) 0.011(5) C38 0.037(8) 0.062(8) 0.029(7) 0.007(6) 0.019(6) 0.007(7) C39 0.019(6) 0.038(6) 0.027(6) 0.005(5) 0.005(5) 0.003(5) C40 0.020(6) 0.021(5) 0.023(5) -0.004(4) 0.003(4) -0.006(4) C41 0.025(6) 0.020(5) 0.025(5) 0.007(4) 0.009(5) -0.003(4) C42 0.032(7) 0.039(6) 0.017(5) 0.001(5) 0.000(5) -0.006(5) C43 0.026(6) 0.042(7) 0.024(6) 0.016(5) -0.008(5) -0.015(5) C44 0.009(5) 0.041(7) 0.045(7) 0.011(6) -0.006(5) -0.006(5) C45 0.014(6) 0.034(6) 0.031(6) 0.009(5) -0.006(5) -0.006(5) _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 N01 C01 1.146(18) . ? C01 C02 1.45(2) . ? N02 C03 1.15(2) . ? C03 C04 1.44(2) . ? Eu1 O6 2.338(7) . ? Eu1 O5 2.347(7) . ? Eu1 O1 2.355(6) . ? Eu1 O3 2.355(7) . ? Eu1 O2 2.355(7) . ? Eu1 O4 2.388(7) . ? Eu1 N8 2.688(9) . ? Eu1 N5 2.775(8) . ? Eu1 N2 2.793(8) . ? Eu1 N9 3.147(9) . ? Eu1 N7 3.166(8) . ? Cl1 O10 1.390(13) . ? Cl1 O9 1.397(14) . ? Cl1 O7 1.400(10) . ? Cl1 O8 1.439(12) . ? Cl2 O11 1.425(9) . ? Cl2 O14 1.430(10) . ? Cl2 O13 1.447(9) . ? Cl2 O12 1.448(10) . ? Cl3 O17 1.428(10) . ? Cl3 O18 1.433(10) . ? Cl3 O15 1.438(9) . ? Cl3 O16 1.439(9) . ? O1 N1 1.330(10) . ? O2 N3 1.333(11) . ? O3 N4 1.320(10) . ? O4 N6 1.342(11) . ? O5 N7 1.333(11) . ? O6 N9 1.317(11) . ? N1 C1 1.344(13) . ? N1 C5 1.349(13) . ? N2 C6 1.341(13) . ? N2 C10 1.357(13) . ? N3 C11 1.341(13) . ? N3 C15 1.359(13) . ? N4 C16 1.339(14) . ? N4 C20 1.364(14) . ? N5 C21 1.332(13) . ? N5 C25 1.339(13) . ? N6 C30 1.333(14) . ? N6 C26 1.363(13) . ? N7 C31 1.357(13) . ? N7 C35 1.378(14) . ? N8 C40 1.345(14) . ? N8 C36 1.354(13) . ? N9 C41 1.354(14) . ? N9 C45 1.371(14) . ? C1 C2 1.390(15) . ? C2 C3 1.369(16) . ? C3 C4 1.367(16) . ? C4 C5 1.403(14) . ? C5 C6 1.487(15) . ? C6 C7 1.402(15) . ? C7 C8 1.369(16) . ? C8 C9 1.388(15) . ? C9 C10 1.383(15) . ? C10 C11 1.490(14) . ? C11 C12 1.390(16) . ? C12 C13 1.374(17) . ? C13 C14 1.397(19) . ? C14 C15 1.374(17) . ? C16 C17 1.389(16) . ? C17 C18 1.382(16) . ? C18 C19 1.369(16) . ? C19 C20 1.404(14) . ? C20 C21 1.474(16) . ? C21 C22 1.405(14) . ? C22 C23 1.372(16) . ? C23 C24 1.374(15) . ? C24 C25 1.390(15) . ? C25 C26 1.462(14) . ? C26 C27 1.394(14) . ? C27 C28 1.372(16) . ? C28 C29 1.396(16) . ? C29 C30 1.373(17) . ? C31 C32 1.362(16) . ? C32 C33 1.402(17) . ? C33 C34 1.411(17) . ? C34 C35 1.343(17) . ? C35 C36 1.477(14) . ? C36 C37 1.389(15) . ? C37 C38 1.397(17) . ? C38 C39 1.369(17) . ? C39 C40 1.386(15) . ? C40 C41 1.498(15) . ? C41 C42 1.396(15) . ? C42 C43 1.391(17) . ? C43 C44 1.387(18) . ? C44 C45 1.367(17) . ? 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 N01 C01 C02 178.1(15) . . ? N02 C03 C04 179(2) . . ? O6 Eu1 O5 132.1(3) . . ? O6 Eu1 O1 90.4(2) . . ? O5 Eu1 O1 72.6(2) . . ? O6 Eu1 O3 73.3(2) . . ? O5 Eu1 O3 87.9(2) . . ? O1 Eu1 O3 135.4(2) . . ? O6 Eu1 O2 131.3(2) . . ? O5 Eu1 O2 78.5(2) . . ? O1 Eu1 O2 138.2(2) . . ? O3 Eu1 O2 71.3(2) . . ? O6 Eu1 O4 77.6(2) . . ? O5 Eu1 O4 132.8(2) . . ? O1 Eu1 O4 71.6(2) . . ? O3 Eu1 O4 139.2(2) . . ? O2 Eu1 O4 110.4(2) . . ? O6 Eu1 N8 65.6(3) . . ? O5 Eu1 N8 66.6(3) . . ? O1 Eu1 N8 68.6(2) . . ? O3 Eu1 N8 66.8(2) . . ? O2 Eu1 N8 125.3(3) . . ? O4 Eu1 N8 124.3(3) . . ? O6 Eu1 N5 67.4(2) . . ? O5 Eu1 N5 147.6(2) . . ? O1 Eu1 N5 138.8(2) . . ? O3 Eu1 N5 72.8(2) . . ? O2 Eu1 N5 70.9(2) . . ? O4 Eu1 N5 70.0(2) . . ? N8 Eu1 N5 124.5(2) . . ? O6 Eu1 N2 147.6(2) . . ? O5 Eu1 N2 69.7(2) . . ? O1 Eu1 N2 72.5(2) . . ? O3 Eu1 N2 137.7(2) . . ? O2 Eu1 N2 69.4(2) . . ? O4 Eu1 N2 71.0(2) . . ? N8 Eu1 N2 127.9(2) . . ? N5 Eu1 N2 107.7(2) . . ? O6 Eu1 N9 22.1(2) . . ? O5 Eu1 N9 122.5(3) . . ? O1 Eu1 N9 68.5(2) . . ? O3 Eu1 N9 91.3(2) . . ? O2 Eu1 N9 153.0(2) . . ? O4 Eu1 N9 69.4(2) . . ? N8 Eu1 N9 60.7(3) . . ? N5 Eu1 N9 84.5(2) . . ? N2 Eu1 N9 131.0(2) . . ? O6 Eu1 N7 121.8(2) . . ? O5 Eu1 N7 22.2(2) . . ? O1 Eu1 N7 91.0(2) . . ? O3 Eu1 N7 65.8(2) . . ? O2 Eu1 N7 70.4(2) . . ? O4 Eu1 N7 154.8(2) . . ? N8 Eu1 N7 61.2(2) . . ? N5 Eu1 N7 130.1(2) . . ? N2 Eu1 N7 86.7(2) . . ? N9 Eu1 N7 121.8(2) . . ? O10 Cl1 O9 108.8(13) . . ? O10 Cl1 O7 110.6(11) . . ? O9 Cl1 O7 108.3(8) . . ? O10 Cl1 O8 107.6(9) . . ? O9 Cl1 O8 109.7(10) . . ? O7 Cl1 O8 111.9(8) . . ? O11 Cl2 O14 110.3(6) . . ? O11 Cl2 O13 109.8(6) . . ? O14 Cl2 O13 108.8(6) . . ? O11 Cl2 O12 109.5(6) . . ? O14 Cl2 O12 108.5(6) . . ? O13 Cl2 O12 110.0(6) . . ? O17 Cl3 O18 109.7(6) . . ? O17 Cl3 O15 109.6(6) . . ? O18 Cl3 O15 108.4(6) . . ? O17 Cl3 O16 108.6(6) . . ? O18 Cl3 O16 109.9(6) . . ? O15 Cl3 O16 110.7(6) . . ? N1 O1 Eu1 128.4(5) . . ? N3 O2 Eu1 125.2(6) . . ? N4 O3 Eu1 128.0(6) . . ? N6 O4 Eu1 123.2(6) . . ? N7 O5 Eu1 116.0(5) . . ? N9 O6 Eu1 116.1(6) . . ? O1 N1 C1 118.3(8) . . ? O1 N1 C5 120.9(8) . . ? C1 N1 C5 120.8(9) . . ? C6 N2 C10 116.6(8) . . ? C6 N2 Eu1 112.2(6) . . ? C10 N2 Eu1 114.6(6) . . ? O2 N3 C11 119.3(8) . . ? O2 N3 C15 118.8(8) . . ? C11 N3 C15 121.9(10) . . ? O3 N4 C16 118.7(8) . . ? O3 N4 C20 120.2(8) . . ? C16 N4 C20 121.0(9) . . ? C21 N5 C25 117.2(9) . . ? C21 N5 Eu1 111.3(6) . . ? C25 N5 Eu1 114.6(6) . . ? C30 N6 O4 119.1(9) . . ? C30 N6 C26 123.1(9) . . ? O4 N6 C26 117.9(8) . . ? O5 N7 C31 118.5(9) . . ? O5 N7 C35 119.9(8) . . ? C31 N7 C35 121.6(9) . . ? O5 N7 Eu1 41.8(4) . . ? C31 N7 Eu1 123.7(7) . . ? C35 N7 Eu1 99.8(6) . . ? C40 N8 C36 116.6(9) . . ? C40 N8 Eu1 122.2(7) . . ? C36 N8 Eu1 121.2(7) . . ? O6 N9 C41 120.5(9) . . ? O6 N9 C45 117.8(9) . . ? C41 N9 C45 121.7(10) . . ? O6 N9 Eu1 41.9(4) . . ? C41 N9 Eu1 101.8(6) . . ? C45 N9 Eu1 123.4(7) . . ? N1 C1 C2 120.7(10) . . ? C3 C2 C1 119.5(11) . . ? C4 C3 C2 119.5(10) . . ? C3 C4 C5 120.1(10) . . ? N1 C5 C4 119.3(10) . . ? N1 C5 C6 121.6(9) . . ? C4 C5 C6 119.1(9) . . ? N2 C6 C7 122.7(10) . . ? N2 C6 C5 118.2(9) . . ? C7 C6 C5 118.4(9) . . ? C8 C7 C6 118.5(10) . . ? C7 C8 C9 120.2(10) . . ? C10 C9 C8 117.0(10) . . ? N2 C10 C9 124.3(9) . . ? N2 C10 C11 115.9(9) . . ? C9 C10 C11 119.4(9) . . ? N3 C11 C12 119.1(10) . . ? N3 C11 C10 119.2(9) . . ? C12 C11 C10 121.6(10) . . ? C13 C12 C11 119.6(12) . . ? C12 C13 C14 120.8(12) . . ? C15 C14 C13 117.5(11) . . ? N3 C15 C14 121.1(10) . . ? N4 C16 C17 121.9(10) . . ? C18 C17 C16 118.6(10) . . ? C19 C18 C17 119.1(10) . . ? C18 C19 C20 121.6(10) . . ? N4 C20 C19 117.8(10) . . ? N4 C20 C21 121.7(9) . . ? C19 C20 C21 120.2(10) . . ? N5 C21 C22 123.5(10) . . ? N5 C21 C20 117.1(9) . . ? C22 C21 C20 118.6(10) . . ? C23 C22 C21 116.7(9) . . ? C22 C23 C24 121.0(10) . . ? C23 C24 C25 117.6(10) . . ? N5 C25 C24 123.2(9) . . ? N5 C25 C26 116.6(9) . . ? C24 C25 C26 120.0(10) . . ? N6 C26 C27 117.0(10) . . ? N6 C26 C25 120.1(9) . . ? C27 C26 C25 122.7(9) . . ? C28 C27 C26 122.2(10) . . ? C27 C28 C29 117.4(11) . . ? C30 C29 C28 120.6(10) . . ? N6 C30 C29 119.7(10) . . ? N7 C31 C32 120.5(11) . . ? C31 C32 C33 120.6(10) . . ? C32 C33 C34 115.9(11) . . ? C35 C34 C33 123.6(12) . . ? C34 C35 N7 117.8(10) . . ? C34 C35 C36 120.6(10) . . ? N7 C35 C36 121.6(9) . . ? N8 C36 C37 122.5(10) . . ? N8 C36 C35 121.1(9) . . ? C37 C36 C35 116.3(9) . . ? C36 C37 C38 119.8(11) . . ? C39 C38 C37 117.2(11) . . ? C38 C39 C40 120.1(11) . . ? N8 C40 C39 123.5(10) . . ? N8 C40 C41 120.4(9) . . ? C39 C40 C41 116.1(10) . . ? N9 C41 C42 118.0(10) . . ? N9 C41 C40 121.1(10) . . ? C42 C41 C40 120.9(10) . . ? C43 C42 C41 120.7(11) . . ? C44 C43 C42 119.8(11) . . ? C45 C44 C43 118.5(11) . . ? C44 C45 N9 121.3(11) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O6 Eu1 O1 N1 -110.9(7) . . . . ? O5 Eu1 O1 N1 114.7(7) . . . . ? O3 Eu1 O1 N1 -177.2(6) . . . . ? O2 Eu1 O1 N1 66.2(8) . . . . ? O4 Eu1 O1 N1 -34.1(7) . . . . ? N8 Eu1 O1 N1 -174.3(8) . . . . ? N5 Eu1 O1 N1 -56.0(8) . . . . ? N2 Eu1 O1 N1 41.1(7) . . . . ? N9 Eu1 O1 N1 -108.6(7) . . . . ? N7 Eu1 O1 N1 127.3(7) . . . . ? O6 Eu1 O2 N3 99.4(7) . . . . ? O5 Eu1 O2 N3 -123.5(7) . . . . ? O1 Eu1 O2 N3 -76.7(7) . . . . ? O3 Eu1 O2 N3 144.8(7) . . . . ? O4 Eu1 O2 N3 8.1(7) . . . . ? N8 Eu1 O2 N3 -173.6(6) . . . . ? N5 Eu1 O2 N3 67.1(6) . . . . ? N2 Eu1 O2 N3 -51.1(6) . . . . ? N9 Eu1 O2 N3 92.6(8) . . . . ? N7 Eu1 O2 N3 -145.0(7) . . . . ? O6 Eu1 O3 N4 109.8(7) . . . . ? O5 Eu1 O3 N4 -114.9(7) . . . . ? O1 Eu1 O3 N4 -177.3(6) . . . . ? O2 Eu1 O3 N4 -36.3(7) . . . . ? O4 Eu1 O3 N4 63.6(8) . . . . ? N8 Eu1 O3 N4 179.8(8) . . . . ? N5 Eu1 O3 N4 38.8(7) . . . . ? N2 Eu1 O3 N4 -58.7(8) . . . . ? N9 Eu1 O3 N4 122.7(7) . . . . ? N7 Eu1 O3 N4 -112.7(7) . . . . ? O6 Eu1 O4 N6 -123.1(6) . . . . ? O5 Eu1 O4 N6 99.8(6) . . . . ? O1 Eu1 O4 N6 142.2(7) . . . . ? O3 Eu1 O4 N6 -78.0(7) . . . . ? O2 Eu1 O4 N6 6.7(7) . . . . ? N8 Eu1 O4 N6 -171.6(6) . . . . ? N5 Eu1 O4 N6 -52.9(6) . . . . ? N2 Eu1 O4 N6 65.0(6) . . . . ? N9 Eu1 O4 N6 -144.5(7) . . . . ? N7 Eu1 O4 N6 93.9(8) . . . . ? O6 Eu1 O5 N7 70.4(7) . . . . ? O1 Eu1 O5 N7 144.6(7) . . . . ? O3 Eu1 O5 N7 5.3(6) . . . . ? O2 Eu1 O5 N7 -66.0(6) . . . . ? O4 Eu1 O5 N7 -173.3(5) . . . . ? N8 Eu1 O5 N7 70.9(6) . . . . ? N5 Eu1 O5 N7 -47.0(8) . . . . ? N2 Eu1 O5 N7 -138.1(7) . . . . ? N9 Eu1 O5 N7 95.5(6) . . . . ? O5 Eu1 O6 N9 72.3(7) . . . . ? O1 Eu1 O6 N9 5.7(7) . . . . ? O3 Eu1 O6 N9 143.5(7) . . . . ? O2 Eu1 O6 N9 -171.8(6) . . . . ? O4 Eu1 O6 N9 -65.4(7) . . . . ? N8 Eu1 O6 N9 71.8(7) . . . . ? N5 Eu1 O6 N9 -138.7(7) . . . . ? N2 Eu1 O6 N9 -51.0(9) . . . . ? N7 Eu1 O6 N9 97.1(7) . . . . ? Eu1 O1 N1 C1 123.2(8) . . . . ? Eu1 O1 N1 C5 -59.1(11) . . . . ? O6 Eu1 N2 C6 76.6(8) . . . . ? O5 Eu1 N2 C6 -62.0(7) . . . . ? O1 Eu1 N2 C6 15.4(7) . . . . ? O3 Eu1 N2 C6 -124.3(7) . . . . ? O2 Eu1 N2 C6 -147.0(7) . . . . ? O4 Eu1 N2 C6 91.4(7) . . . . ? N8 Eu1 N2 C6 -27.7(8) . . . . ? N5 Eu1 N2 C6 152.1(7) . . . . ? N9 Eu1 N2 C6 53.8(8) . . . . ? N7 Eu1 N2 C6 -76.7(7) . . . . ? O6 Eu1 N2 C10 -147.5(7) . . . . ? O5 Eu1 N2 C10 73.9(7) . . . . ? O1 Eu1 N2 C10 151.3(7) . . . . ? O3 Eu1 N2 C10 11.6(9) . . . . ? O2 Eu1 N2 C10 -11.1(7) . . . . ? O4 Eu1 N2 C10 -132.7(7) . . . . ? N8 Eu1 N2 C10 108.2(7) . . . . ? N5 Eu1 N2 C10 -71.9(7) . . . . ? N9 Eu1 N2 C10 -170.2(6) . . . . ? N7 Eu1 N2 C10 59.2(7) . . . . ? Eu1 O2 N3 C11 71.8(11) . . . . ? Eu1 O2 N3 C15 -109.5(10) . . . . ? Eu1 O3 N4 C16 122.0(9) . . . . ? Eu1 O3 N4 C20 -60.1(11) . . . . ? O6 Eu1 N5 C21 -58.9(7) . . . . ? O5 Eu1 N5 C21 75.6(8) . . . . ? O1 Eu1 N5 C21 -121.3(7) . . . . ? O3 Eu1 N5 C21 19.7(7) . . . . ? O2 Eu1 N5 C21 95.4(7) . . . . ? O4 Eu1 N5 C21 -143.4(7) . . . . ? N8 Eu1 N5 C21 -24.9(8) . . . . ? N2 Eu1 N5 C21 155.3(7) . . . . ? N9 Eu1 N5 C21 -73.4(7) . . . . ? N7 Eu1 N5 C21 54.4(8) . . . . ? O6 Eu1 N5 C25 76.9(7) . . . . ? O5 Eu1 N5 C25 -148.6(6) . . . . ? O1 Eu1 N5 C25 14.5(8) . . . . ? O3 Eu1 N5 C25 155.6(7) . . . . ? O2 Eu1 N5 C25 -128.8(7) . . . . ? O4 Eu1 N5 C25 -7.5(6) . . . . ? N8 Eu1 N5 C25 111.0(7) . . . . ? N2 Eu1 N5 C25 -68.8(7) . . . . ? N9 Eu1 N5 C25 62.5(7) . . . . ? N7 Eu1 N5 C25 -169.8(6) . . . . ? Eu1 O4 N6 C30 -111.3(9) . . . . ? Eu1 O4 N6 C26 69.1(10) . . . . ? Eu1 O5 N7 C31 109.9(8) . . . . ? Eu1 O5 N7 C35 -69.5(9) . . . . ? O6 Eu1 N7 O5 -124.7(6) . . . . ? O1 Eu1 N7 O5 -33.6(6) . . . . ? O3 Eu1 N7 O5 -174.2(7) . . . . ? O2 Eu1 N7 O5 108.1(6) . . . . ? O4 Eu1 N7 O5 11.6(9) . . . . ? N8 Eu1 N7 O5 -98.4(6) . . . . ? N5 Eu1 N7 O5 149.2(6) . . . . ? N2 Eu1 N7 O5 38.8(6) . . . . ? N9 Eu1 N7 O5 -98.7(6) . . . . ? O6 Eu1 N7 C31 138.8(7) . . . . ? O5 Eu1 N7 C31 -96.5(10) . . . . ? O1 Eu1 N7 C31 -130.1(8) . . . . ? O3 Eu1 N7 C31 89.3(8) . . . . ? O2 Eu1 N7 C31 11.6(7) . . . . ? O4 Eu1 N7 C31 -85.0(9) . . . . ? N8 Eu1 N7 C31 165.1(8) . . . . ? N5 Eu1 N7 C31 52.7(8) . . . . ? N2 Eu1 N7 C31 -57.7(8) . . . . ? N9 Eu1 N7 C31 164.8(7) . . . . ? O6 Eu1 N7 C35 -0.2(7) . . . . ? O5 Eu1 N7 C35 124.5(9) . . . . ? O1 Eu1 N7 C35 90.9(6) . . . . ? O3 Eu1 N7 C35 -49.7(6) . . . . ? O2 Eu1 N7 C35 -127.3(6) . . . . ? O4 Eu1 N7 C35 136.1(6) . . . . ? N8 Eu1 N7 C35 26.2(6) . . . . ? N5 Eu1 N7 C35 -86.2(6) . . . . ? N2 Eu1 N7 C35 163.3(6) . . . . ? N9 Eu1 N7 C35 25.9(7) . . . . ? O6 Eu1 N8 C40 -35.7(7) . . . . ? O5 Eu1 N8 C40 144.7(8) . . . . ? O1 Eu1 N8 C40 65.0(7) . . . . ? O3 Eu1 N8 C40 -117.1(8) . . . . ? O2 Eu1 N8 C40 -160.2(7) . . . . ? O4 Eu1 N8 C40 17.7(8) . . . . ? N5 Eu1 N8 C40 -70.3(8) . . . . ? N2 Eu1 N8 C40 109.5(7) . . . . ? N9 Eu1 N8 C40 -11.5(7) . . . . ? N7 Eu1 N8 C40 168.8(8) . . . . ? O6 Eu1 N8 C36 144.1(8) . . . . ? O5 Eu1 N8 C36 -35.5(7) . . . . ? O1 Eu1 N8 C36 -115.1(7) . . . . ? O3 Eu1 N8 C36 62.7(7) . . . . ? O2 Eu1 N8 C36 19.6(8) . . . . ? O4 Eu1 N8 C36 -162.4(6) . . . . ? N5 Eu1 N8 C36 109.5(7) . . . . ? N2 Eu1 N8 C36 -70.7(8) . . . . ? N9 Eu1 N8 C36 168.3(8) . . . . ? N7 Eu1 N8 C36 -11.4(6) . . . . ? Eu1 O6 N9 C41 -72.5(10) . . . . ? Eu1 O6 N9 C45 110.1(8) . . . . ? O5 Eu1 N9 O6 -123.1(6) . . . . ? O1 Eu1 N9 O6 -173.9(7) . . . . ? O3 Eu1 N9 O6 -34.8(7) . . . . ? O2 Eu1 N9 O6 13.7(10) . . . . ? O4 Eu1 N9 O6 108.5(7) . . . . ? N8 Eu1 N9 O6 -97.1(7) . . . . ? N5 Eu1 N9 O6 37.8(7) . . . . ? N2 Eu1 N9 O6 146.5(6) . . . . ? N7 Eu1 N9 O6 -96.8(7) . . . . ? O6 Eu1 N9 C41 122.9(10) . . . . ? O5 Eu1 N9 C41 -0.2(7) . . . . ? O1 Eu1 N9 C41 -51.0(6) . . . . ? O3 Eu1 N9 C41 88.1(6) . . . . ? O2 Eu1 N9 C41 136.6(7) . . . . ? O4 Eu1 N9 C41 -128.7(7) . . . . ? N8 Eu1 N9 C41 25.8(6) . . . . ? N5 Eu1 N9 C41 160.7(6) . . . . ? N2 Eu1 N9 C41 -90.6(7) . . . . ? N7 Eu1 N9 C41 26.1(7) . . . . ? O6 Eu1 N9 C45 -95.8(11) . . . . ? O5 Eu1 N9 C45 141.1(8) . . . . ? O1 Eu1 N9 C45 90.2(8) . . . . ? O3 Eu1 N9 C45 -130.6(8) . . . . ? O2 Eu1 N9 C45 -82.1(10) . . . . ? O4 Eu1 N9 C45 12.6(8) . . . . ? N8 Eu1 N9 C45 167.1(9) . . . . ? N5 Eu1 N9 C45 -58.0(8) . . . . ? N2 Eu1 N9 C45 50.7(9) . . . . ? N7 Eu1 N9 C45 167.4(8) . . . . ? O1 N1 C1 C2 177.8(9) . . . . ? C5 N1 C1 C2 0.1(15) . . . . ? N1 C1 C2 C3 -0.3(16) . . . . ? C1 C2 C3 C4 -0.5(16) . . . . ? C2 C3 C4 C5 1.5(16) . . . . ? O1 N1 C5 C4 -176.8(9) . . . . ? C1 N1 C5 C4 0.8(14) . . . . ? O1 N1 C5 C6 3.8(14) . . . . ? C1 N1 C5 C6 -178.5(9) . . . . ? C3 C4 C5 N1 -1.6(15) . . . . ? C3 C4 C5 C6 177.8(10) . . . . ? C10 N2 C6 C7 -6.2(15) . . . . ? Eu1 N2 C6 C7 128.8(9) . . . . ? C10 N2 C6 C5 164.2(9) . . . . ? Eu1 N2 C6 C5 -60.8(10) . . . . ? N1 C5 C6 N2 63.0(13) . . . . ? C4 C5 C6 N2 -116.3(11) . . . . ? N1 C5 C6 C7 -126.2(11) . . . . ? C4 C5 C6 C7 54.5(14) . . . . ? N2 C6 C7 C8 -0.3(16) . . . . ? C5 C6 C7 C8 -170.7(10) . . . . ? C6 C7 C8 C9 7.0(17) . . . . ? C7 C8 C9 C10 -6.8(17) . . . . ? C6 N2 C10 C9 6.4(16) . . . . ? Eu1 N2 C10 C9 -127.5(10) . . . . ? C6 N2 C10 C11 -166.3(9) . . . . ? Eu1 N2 C10 C11 59.8(11) . . . . ? C8 C9 C10 N2 -0.1(18) . . . . ? C8 C9 C10 C11 172.4(10) . . . . ? O2 N3 C11 C12 176.8(10) . . . . ? C15 N3 C11 C12 -2.0(17) . . . . ? O2 N3 C11 C10 -6.9(16) . . . . ? C15 N3 C11 C10 174.3(10) . . . . ? N2 C10 C11 N3 -62.6(14) . . . . ? C9 C10 C11 N3 124.3(12) . . . . ? N2 C10 C11 C12 113.6(13) . . . . ? C9 C10 C11 C12 -59.5(16) . . . . ? N3 C11 C12 C13 0.1(19) . . . . ? C10 C11 C12 C13 -176.1(12) . . . . ? C11 C12 C13 C14 3(2) . . . . ? C12 C13 C14 C15 -4(2) . . . . ? O2 N3 C15 C14 -177.8(10) . . . . ? C11 N3 C15 C14 0.9(18) . . . . ? C13 C14 C15 N3 1.9(18) . . . . ? O3 N4 C16 C17 179.1(10) . . . . ? C20 N4 C16 C17 1.2(16) . . . . ? N4 C16 C17 C18 -1.9(17) . . . . ? C16 C17 C18 C19 1.6(16) . . . . ? C17 C18 C19 C20 -0.7(16) . . . . ? O3 N4 C20 C19 -178.1(9) . . . . ? C16 N4 C20 C19 -0.3(14) . . . . ? O3 N4 C20 C21 7.8(14) . . . . ? C16 N4 C20 C21 -174.3(10) . . . . ? C18 C19 C20 N4 0.0(15) . . . . ? C18 C19 C20 C21 174.2(10) . . . . ? C25 N5 C21 C22 -9.5(15) . . . . ? Eu1 N5 C21 C22 125.1(9) . . . . ? C25 N5 C21 C20 160.4(9) . . . . ? Eu1 N5 C21 C20 -65.0(10) . . . . ? N4 C20 C21 N5 62.5(14) . . . . ? C19 C20 C21 N5 -111.5(11) . . . . ? N4 C20 C21 C22 -127.1(11) . . . . ? C19 C20 C21 C22 59.0(14) . . . . ? N5 C21 C22 C23 4.1(16) . . . . ? C20 C21 C22 C23 -165.7(10) . . . . ? C21 C22 C23 C24 4.1(16) . . . . ? C22 C23 C24 C25 -6.2(17) . . . . ? C21 N5 C25 C24 7.1(14) . . . . ? Eu1 N5 C25 C24 -126.0(9) . . . . ? C21 N5 C25 C26 -168.6(9) . . . . ? Eu1 N5 C25 C26 58.3(10) . . . . ? C23 C24 C25 N5 0.5(16) . . . . ? C23 C24 C25 C26 176.1(10) . . . . ? C30 N6 C26 C27 1.5(16) . . . . ? O4 N6 C26 C27 -178.9(9) . . . . ? C30 N6 C26 C25 177.8(10) . . . . ? O4 N6 C26 C25 -2.6(14) . . . . ? N5 C25 C26 N6 -66.7(13) . . . . ? C24 C25 C26 N6 117.5(11) . . . . ? N5 C25 C26 C27 109.4(12) . . . . ? C24 C25 C26 C27 -66.4(15) . . . . ? N6 C26 C27 C28 -1.5(17) . . . . ? C25 C26 C27 C28 -177.8(11) . . . . ? C26 C27 C28 C29 1.0(18) . . . . ? C27 C28 C29 C30 -0.4(19) . . . . ? O4 N6 C30 C29 179.5(10) . . . . ? C26 N6 C30 C29 -0.9(18) . . . . ? C28 C29 C30 N6 0.3(19) . . . . ? O5 N7 C31 C32 -179.6(9) . . . . ? C35 N7 C31 C32 -0.2(15) . . . . ? Eu1 N7 C31 C32 -130.7(9) . . . . ? N7 C31 C32 C33 2.5(16) . . . . ? C31 C32 C33 C34 -3.1(16) . . . . ? C32 C33 C34 C35 1.7(17) . . . . ? C33 C34 C35 N7 0.3(17) . . . . ? C33 C34 C35 C36 -177.5(10) . . . . ? O5 N7 C35 C34 178.2(9) . . . . ? C31 N7 C35 C34 -1.2(14) . . . . ? Eu1 N7 C35 C34 138.9(9) . . . . ? O5 N7 C35 C36 -4.0(13) . . . . ? C31 N7 C35 C36 176.7(9) . . . . ? Eu1 N7 C35 C36 -43.3(10) . . . . ? C40 N8 C36 C37 -1.9(14) . . . . ? Eu1 N8 C36 C37 178.2(8) . . . . ? C40 N8 C36 C35 174.6(9) . . . . ? Eu1 N8 C36 C35 -5.2(12) . . . . ? C34 C35 C36 N8 -141.7(11) . . . . ? N7 C35 C36 N8 40.6(14) . . . . ? C34 C35 C36 C37 35.1(15) . . . . ? N7 C35 C36 C37 -142.7(10) . . . . ? N8 C36 C37 C38 6.3(18) . . . . ? C35 C36 C37 C38 -170.5(11) . . . . ? C36 C37 C38 C39 -5(2) . . . . ? C37 C38 C39 C40 1(2) . . . . ? C36 N8 C40 C39 -3.0(15) . . . . ? Eu1 N8 C40 C39 176.9(8) . . . . ? C36 N8 C40 C41 176.4(9) . . . . ? Eu1 N8 C40 C41 -3.8(13) . . . . ? C38 C39 C40 N8 3.6(18) . . . . ? C38 C39 C40 C41 -175.8(11) . . . . ? O6 N9 C41 C42 -178.1(9) . . . . ? C45 N9 C41 C42 -0.8(15) . . . . ? Eu1 N9 C41 C42 141.3(8) . . . . ? O6 N9 C41 C40 -0.9(14) . . . . ? C45 N9 C41 C40 176.5(9) . . . . ? Eu1 N9 C41 C40 -41.4(10) . . . . ? N8 C40 C41 N9 37.5(14) . . . . ? C39 C40 C41 N9 -143.1(10) . . . . ? N8 C40 C41 C42 -145.3(10) . . . . ? C39 C40 C41 C42 34.1(15) . . . . ? N9 C41 C42 C43 1.3(16) . . . . ? C40 C41 C42 C43 -175.9(10) . . . . ? C41 C42 C43 C44 -1.1(17) . . . . ? C42 C43 C44 C45 0.4(17) . . . . ? C43 C44 C45 N9 0.1(17) . . . . ? O6 N9 C45 C44 177.4(10) . . . . ? C41 N9 C45 C44 0.1(16) . . . . ? Eu1 N9 C45 C44 -133.9(9) . . . . ? _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.992 _refine_diff_density_max 7.588 _refine_diff_density_min -1.828 _refine_diff_density_rms 0.326 # Attachment 'eu3a.cif.txt' data_s923 _database_code_depnum_ccdc_archive 'CCDC 631771' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C51 H42 Cl3 Eu N12 O21' _chemical_formula_weight 1417.28 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' Cl Cl 0.1484 0.1585 '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 Monoclinic _symmetry_space_group_name_H-M P2(1)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 16.196(3) _cell_length_b 14.781(3) _cell_length_c 24.469(5) _cell_angle_alpha 90.00 _cell_angle_beta 106.47(3) _cell_angle_gamma 90.00 _cell_volume 5617.3(19) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 34621 _cell_measurement_theta_min 1.00 _cell_measurement_theta_max 27.48 _exptl_crystal_description Block _exptl_crystal_colour 'Pale yellow' _exptl_crystal_size_max 0.22 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.676 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2856 _exptl_absorpt_coefficient_mu 1.350 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.664 _exptl_absorpt_correction_T_max 0.864 _exptl_absorpt_process_details ; 'Sortav-Blessing, 1995' ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Kappa CCD' _diffrn_measurement_method CCD _diffrn_detector_area_resol_mean 9 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 41775 _diffrn_reflns_av_R_equivalents 0.0818 _diffrn_reflns_av_sigmaI/netI 0.0705 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_theta_min 1.31 _diffrn_reflns_theta_max 27.50 _reflns_number_total 12558 _reflns_number_gt 9545 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect (Nonius BV, 1997-2000)' _computing_cell_refinement ; HKL Scalepack (Otwinowski & Minor, 1997) ; _computing_data_reduction ; HKL Denzo & Scalepack (Otwinowski, 1997) ; _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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. ; _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^)+(0.0738P)^2^+4.8684P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 12558 _refine_ls_number_parameters 796 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0756 _refine_ls_R_factor_gt 0.0491 _refine_ls_wR_factor_ref 0.1457 _refine_ls_wR_factor_gt 0.1204 _refine_ls_goodness_of_fit_ref 1.124 _refine_ls_restrained_S_all 1.124 _refine_ls_shift/su_max 0.027 _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 0.317517(13) 0.374352(14) 0.032233(8) 0.01697(8) Uani 1 1 d . . . Cl1 Cl -0.09064(8) 0.53848(9) -0.21954(5) 0.0350(3) Uani 1 1 d . . . Cl2 Cl 0.39368(10) 0.51225(11) -0.29949(6) 0.0484(4) Uani 1 1 d . . . Cl3 Cl 0.20605(10) 0.81030(9) -0.01608(8) 0.0509(4) Uani 1 1 d . . . O1 O 0.4178(2) 0.4180(2) 0.11756(12) 0.0209(6) Uani 1 1 d . . . O2 O 0.2385(2) 0.41682(19) 0.10092(12) 0.0206(6) Uani 1 1 d . . . O3 O 0.2471(2) 0.5146(2) 0.00813(13) 0.0230(7) Uani 1 1 d . . . O4 O 0.4325(2) 0.2612(2) 0.04773(12) 0.0235(7) Uani 1 1 d . . . O5 O 0.33820(19) 0.32869(19) -0.05531(12) 0.0189(6) Uani 1 1 d . . . O6 O 0.4143(2) 0.4749(2) 0.00662(12) 0.0207(6) Uani 1 1 d . . . O7 O 0.2797(2) 0.2395(2) 0.07287(13) 0.0231(7) Uani 1 1 d . . . O8 O 0.17829(19) 0.3246(2) -0.02749(12) 0.0224(7) Uani 1 1 d . . . O9 O 0.2940(2) 0.2234(3) -0.16071(15) 0.0358(8) Uani 1 1 d . . . O10 O -0.0227(3) 0.5972(3) -0.1889(2) 0.0611(12) Uani 1 1 d . . . O11 O -0.0957(4) 0.4646(3) -0.1835(2) 0.0781(17) Uani 1 1 d . . . O12 O -0.0701(3) 0.5055(3) -0.26894(16) 0.0500(11) Uani 1 1 d . . . O13 O -0.1694(3) 0.5882(4) -0.2356(2) 0.0774(17) Uani 1 1 d . . . O14 O 0.3515(4) 0.5840(4) -0.2794(2) 0.0835(18) Uani 1 1 d . . . O15 O 0.3327(3) 0.4466(4) -0.3269(2) 0.0760(16) Uani 1 1 d . . . O16 O 0.4366(5) 0.5447(5) -0.3383(2) 0.105(2) Uani 1 1 d . . . O17 O 0.4551(3) 0.4730(4) -0.25137(19) 0.0671(14) Uani 1 1 d . . . O18 O 0.2113(6) 0.7382(5) 0.0154(4) 0.145(3) Uani 1 1 d . . . O19 O 0.1606(6) 0.7646(9) -0.0742(4) 0.181(5) Uani 1 1 d . . . O20 O 0.2818(4) 0.8362(5) -0.0251(3) 0.110(2) Uani 1 1 d . . . O21 O 0.1470(5) 0.8743(4) -0.0122(4) 0.117(3) Uani 1 1 d . . . N1 N 0.4171(2) 0.3730(2) 0.16500(15) 0.0204(8) Uani 1 1 d . . . N2 N 0.2600(2) 0.4936(2) 0.12910(15) 0.0206(8) Uani 1 1 d . . . N3 N 0.1687(2) 0.5429(2) 0.00600(16) 0.0217(8) Uani 1 1 d . . . N4 N 0.4156(2) 0.1798(2) 0.02425(15) 0.0219(8) Uani 1 1 d . . . N5 N 0.4140(2) 0.3215(2) -0.06505(14) 0.0177(7) Uani 1 1 d . . . N6 N 0.3926(2) 0.5197(2) -0.04263(14) 0.0187(8) Uani 1 1 d . . . N7 N 0.2043(3) 0.2242(2) 0.08231(16) 0.0229(8) Uani 1 1 d . . . N8 N 0.1687(2) 0.2407(3) -0.04902(16) 0.0235(8) Uani 1 1 d . . . N9 N 0.2424(3) 0.2920(3) -0.16884(16) 0.0300(9) Uani 1 1 d . . . C1 C 0.4640(3) 0.2969(3) 0.17853(19) 0.0245(10) Uani 1 1 d . . . H1 H 0.4953 0.2749 0.1548 0.029 Uiso 1 1 calc R . . C2 C 0.4651(3) 0.2519(3) 0.2285(2) 0.0321(11) Uani 1 1 d . . . H2 H 0.4967 0.1987 0.2381 0.039 Uiso 1 1 calc R . . C3 C 0.4201(3) 0.2850(4) 0.2636(2) 0.0348(12) Uani 1 1 d . . . H3 H 0.4217 0.2552 0.2974 0.042 Uiso 1 1 calc R . . C4 C 0.3720(3) 0.3632(3) 0.2487(2) 0.0285(11) Uani 1 1 d . . . H4 H 0.3411 0.3860 0.2724 0.034 Uiso 1 1 calc R . . C5 C 0.3698(3) 0.4074(3) 0.19819(18) 0.0216(9) Uani 1 1 d . . . C6 C 0.3238(3) 0.4927(3) 0.17956(18) 0.0217(9) Uani 1 1 d . . . C7 C 0.3435(3) 0.5713(3) 0.2116(2) 0.0288(11) Uani 1 1 d . . . H7 H 0.3870 0.5707 0.2459 0.035 Uiso 1 1 calc R . . C8 C 0.2989(3) 0.6506(4) 0.1928(2) 0.0318(11) Uani 1 1 d . . . H8 H 0.3105 0.7029 0.2147 0.038 Uiso 1 1 calc R . . C9 C 0.2373(3) 0.6503(3) 0.1410(2) 0.0259(10) Uani 1 1 d . . . H9 H 0.2079 0.7034 0.1272 0.031 Uiso 1 1 calc R . . C10 C 0.2184(3) 0.5709(3) 0.10890(19) 0.0211(9) Uani 1 1 d . . . C11 C 0.1493(3) 0.5698(3) 0.05424(19) 0.0211(9) Uani 1 1 d . . . C12 C 0.0690(3) 0.6054(3) 0.0503(2) 0.0276(10) Uani 1 1 d . . . H12 H 0.0557 0.6239 0.0831 0.033 Uiso 1 1 calc R . . C13 C 0.0084(3) 0.6138(3) -0.0020(2) 0.0327(12) Uani 1 1 d . . . H13 H -0.0459 0.6370 -0.0048 0.039 Uiso 1 1 calc R . . C14 C 0.0302(3) 0.5869(3) -0.0504(2) 0.0332(12) Uani 1 1 d . . . H14 H -0.0095 0.5925 -0.0861 0.040 Uiso 1 1 calc R . . C15 C 0.1103(3) 0.5521(3) -0.0454(2) 0.0274(10) Uani 1 1 d . . . H15 H 0.1247 0.5345 -0.0780 0.033 Uiso 1 1 calc R . . C16 C 0.3952(3) 0.1110(3) 0.0550(2) 0.0253(10) Uani 1 1 d . . . H16 H 0.3931 0.1208 0.0921 0.030 Uiso 1 1 calc R . . C17 C 0.3778(3) 0.0264(3) 0.0304(2) 0.0321(12) Uani 1 1 d . . . H17 H 0.3629 -0.0206 0.0511 0.039 Uiso 1 1 calc R . . C18 C 0.3821(4) 0.0106(3) -0.0240(2) 0.0336(12) Uani 1 1 d . . . H18 H 0.3696 -0.0463 -0.0405 0.040 Uiso 1 1 calc R . . C19 C 0.4052(3) 0.0811(3) -0.0535(2) 0.0308(11) Uani 1 1 d . . . H19 H 0.4100 0.0712 -0.0900 0.037 Uiso 1 1 calc R . . C20 C 0.4213(3) 0.1659(3) -0.02954(19) 0.0230(10) Uani 1 1 d . . . C21 C 0.4554(3) 0.2403(3) -0.05737(19) 0.0220(9) Uani 1 1 d . . . C22 C 0.5278(3) 0.2272(3) -0.07532(19) 0.0259(10) Uani 1 1 d . . . H22 H 0.5554 0.1713 -0.0705 0.031 Uiso 1 1 calc R . . C23 C 0.5589(3) 0.2974(3) -0.1004(2) 0.0267(10) Uani 1 1 d . . . H23 H 0.6059 0.2886 -0.1144 0.032 Uiso 1 1 calc R . . C24 C 0.5202(3) 0.3811(3) -0.10466(19) 0.0232(10) Uani 1 1 d . . . H24 H 0.5424 0.4293 -0.1204 0.028 Uiso 1 1 calc R . . C25 C 0.4481(3) 0.3938(3) -0.08554(17) 0.0185(9) Uani 1 1 d . . . C26 C 0.4060(3) 0.4819(3) -0.09011(18) 0.0189(9) Uani 1 1 d . . . C27 C 0.3860(3) 0.5316(3) -0.14046(18) 0.0238(10) Uani 1 1 d . . . H27 H 0.3956 0.5066 -0.1730 0.029 Uiso 1 1 calc R . . C28 C 0.3521(3) 0.6172(3) -0.1425(2) 0.0287(11) Uani 1 1 d . . . H28 H 0.3385 0.6503 -0.1763 0.034 Uiso 1 1 calc R . . C29 C 0.3387(3) 0.6531(3) -0.0937(2) 0.0302(11) Uani 1 1 d . . . H29 H 0.3154 0.7108 -0.0945 0.036 Uiso 1 1 calc R . . C30 C 0.3596(3) 0.6043(3) -0.0439(2) 0.0246(10) Uani 1 1 d . . . H30 H 0.3512 0.6292 -0.0111 0.029 Uiso 1 1 calc R . . C31 C 0.1957(3) 0.2387(3) 0.1348(2) 0.0281(11) Uani 1 1 d . . . H31 H 0.2425 0.2602 0.1635 0.034 Uiso 1 1 calc R . . C32 C 0.1195(4) 0.2225(4) 0.1464(2) 0.0347(12) Uani 1 1 d . . . H32 H 0.1143 0.2324 0.1828 0.042 Uiso 1 1 calc R . . C33 C 0.0499(4) 0.1909(3) 0.1033(2) 0.0352(12) Uani 1 1 d . . . H33 H -0.0028 0.1805 0.1104 0.042 Uiso 1 1 calc R . . C34 C 0.0596(3) 0.1753(3) 0.0503(2) 0.0332(12) Uani 1 1 d . . . H34 H 0.0138 0.1525 0.0215 0.040 Uiso 1 1 calc R . . C35 C 0.1374(3) 0.1934(3) 0.0394(2) 0.0258(10) Uani 1 1 d . . . C36 C 0.1523(3) 0.1716(3) -0.0161(2) 0.0268(10) Uani 1 1 d . . . C37 C 0.1416(4) 0.0845(3) -0.0372(2) 0.0350(12) Uani 1 1 d . . . H37 H 0.1304 0.0376 -0.0150 0.042 Uiso 1 1 calc R . . C38 C 0.1475(4) 0.0671(4) -0.0913(2) 0.0393(13) Uani 1 1 d . . . H38 H 0.1415 0.0083 -0.1054 0.047 Uiso 1 1 calc R . . C39 C 0.1623(3) 0.1378(3) -0.1245(2) 0.0348(12) Uani 1 1 d . . . H39 H 0.1650 0.1266 -0.1613 0.042 Uiso 1 1 calc R . . C40 C 0.1731(3) 0.2245(3) -0.10321(19) 0.0262(10) Uani 1 1 d . . . C41 C 0.1821(3) 0.3017(3) -0.13938(19) 0.0273(10) Uani 1 1 d . . . C42 C 0.2485(4) 0.3579(4) -0.2064(2) 0.0366(13) Uani 1 1 d . . . H42 H 0.2883 0.3513 -0.2271 0.044 Uiso 1 1 calc R . . C43 C 0.1980(4) 0.4331(4) -0.2146(2) 0.0429(14) Uani 1 1 d . . . H43 H 0.2047 0.4773 -0.2401 0.051 Uiso 1 1 calc R . . C44 C 0.1375(4) 0.4447(4) -0.1859(2) 0.0410(13) Uani 1 1 d . . . H44 H 0.1026 0.4958 -0.1914 0.049 Uiso 1 1 calc R . . C45 C 0.1303(3) 0.3769(4) -0.1481(2) 0.0335(12) Uani 1 1 d . . . H45 H 0.0895 0.3827 -0.1282 0.040 Uiso 1 1 calc R . . N01 N 0.1846(6) 0.6955(7) -0.2437(3) 0.112(3) Uani 1 1 d . . . N02 N 0.4114(4) 0.6433(4) 0.3542(2) 0.0603(16) Uani 1 1 d . . . N03 N -0.0339(4) 0.2016(4) -0.1074(3) 0.0657(17) Uani 1 1 d . . . C01 C 0.1223(5) 0.7277(6) -0.2445(3) 0.072(2) Uani 1 1 d . . . C02 C 0.0406(6) 0.7694(6) -0.2475(5) 0.103(4) Uani 1 1 d . . . H02A H 0.0481 0.8337 -0.2430 0.155 Uiso 1 1 calc R . . H02B H 0.0189 0.7458 -0.2177 0.155 Uiso 1 1 calc R . . H02C H 0.0004 0.7566 -0.2838 0.155 Uiso 1 1 calc R . . C03 C 0.3429(5) 0.6199(4) 0.3449(2) 0.0456(15) Uani 1 1 d . . . C04 C 0.2554(5) 0.5893(7) 0.3332(3) 0.073(2) Uani 1 1 d . . . H04A H 0.2290 0.5886 0.2928 0.110 Uiso 1 1 calc R . . H04B H 0.2241 0.6294 0.3509 0.110 Uiso 1 1 calc R . . H04C H 0.2547 0.5294 0.3482 0.110 Uiso 1 1 calc R . . C05 C -0.0840(5) 0.1449(5) -0.1169(3) 0.060(2) Uani 1 1 d . . . C06 C -0.1490(6) 0.0744(6) -0.1286(4) 0.093(3) Uani 1 1 d . . . H06A H -0.1231 0.0177 -0.1335 0.140 Uiso 1 1 calc R . . H06B H -0.1934 0.0890 -0.1627 0.140 Uiso 1 1 calc R . . H06C H -0.1735 0.0699 -0.0972 0.140 Uiso 1 1 calc R . . 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 0.01903(13) 0.01687(12) 0.01599(12) 0.00038(8) 0.00654(9) -0.00029(8) Cl1 0.0320(7) 0.0463(7) 0.0269(6) 0.0034(5) 0.0084(5) -0.0001(5) Cl2 0.0479(9) 0.0618(9) 0.0344(7) -0.0169(7) 0.0099(6) -0.0004(7) Cl3 0.0450(9) 0.0323(7) 0.0862(12) 0.0186(7) 0.0363(8) 0.0039(6) O1 0.0230(17) 0.0255(16) 0.0148(14) 0.0031(12) 0.0062(12) -0.0014(13) O2 0.0271(18) 0.0141(14) 0.0212(15) -0.0025(11) 0.0078(13) -0.0017(12) O3 0.0218(17) 0.0216(16) 0.0294(17) 0.0059(13) 0.0135(14) 0.0057(13) O4 0.0283(18) 0.0188(16) 0.0220(16) -0.0006(12) 0.0049(13) 0.0016(13) O5 0.0173(16) 0.0203(15) 0.0205(15) 0.0000(12) 0.0078(12) -0.0005(12) O6 0.0239(17) 0.0220(15) 0.0163(15) 0.0019(12) 0.0060(13) -0.0016(12) O7 0.0198(17) 0.0225(16) 0.0290(17) 0.0043(13) 0.0100(13) -0.0010(12) O8 0.0231(18) 0.0194(16) 0.0241(16) -0.0051(12) 0.0058(13) 0.0004(12) O9 0.029(2) 0.044(2) 0.036(2) -0.0144(16) 0.0121(16) 0.0031(16) O10 0.048(3) 0.061(3) 0.071(3) -0.018(2) 0.013(2) -0.014(2) O11 0.128(5) 0.058(3) 0.069(3) 0.019(2) 0.061(3) -0.008(3) O12 0.047(3) 0.074(3) 0.030(2) 0.0000(19) 0.0123(18) 0.010(2) O13 0.042(3) 0.120(5) 0.063(3) -0.012(3) 0.004(2) 0.036(3) O14 0.100(5) 0.087(4) 0.055(3) -0.020(3) 0.006(3) 0.043(3) O15 0.060(3) 0.083(4) 0.073(3) -0.028(3) 0.001(3) -0.018(3) O16 0.136(6) 0.135(6) 0.054(3) -0.028(3) 0.042(4) -0.058(5) O17 0.052(3) 0.092(4) 0.049(3) -0.021(2) 0.001(2) 0.019(3) O18 0.181(8) 0.074(5) 0.191(8) 0.084(5) 0.072(7) 0.003(5) O19 0.099(6) 0.301(14) 0.125(7) -0.077(8) 0.005(5) -0.013(8) O20 0.090(5) 0.105(5) 0.156(6) -0.041(5) 0.073(5) -0.060(4) O21 0.091(5) 0.068(4) 0.183(8) -0.014(4) 0.024(5) 0.036(4) N1 0.022(2) 0.0242(19) 0.0146(17) 0.0019(14) 0.0043(15) -0.0016(15) N2 0.023(2) 0.0199(18) 0.0212(18) 0.0002(14) 0.0101(16) -0.0020(15) N3 0.026(2) 0.0151(18) 0.025(2) 0.0031(14) 0.0094(16) 0.0011(15) N4 0.022(2) 0.0224(19) 0.0218(19) 0.0019(15) 0.0069(16) 0.0027(15) N5 0.018(2) 0.0191(18) 0.0169(17) -0.0007(13) 0.0066(15) -0.0006(14) N6 0.020(2) 0.0184(18) 0.0177(18) 0.0014(14) 0.0063(15) -0.0031(14) N7 0.029(2) 0.0160(18) 0.026(2) 0.0035(15) 0.0119(17) 0.0007(15) N8 0.020(2) 0.0227(19) 0.0279(19) -0.0059(16) 0.0065(16) -0.0017(15) N9 0.025(2) 0.043(3) 0.021(2) -0.0094(18) 0.0052(17) -0.0027(19) C1 0.021(2) 0.027(2) 0.025(2) 0.0040(19) 0.0070(19) 0.0038(19) C2 0.031(3) 0.033(3) 0.030(3) 0.010(2) 0.006(2) 0.008(2) C3 0.032(3) 0.045(3) 0.026(3) 0.013(2) 0.006(2) 0.001(2) C4 0.025(3) 0.040(3) 0.021(2) -0.001(2) 0.007(2) -0.002(2) C5 0.021(2) 0.027(2) 0.017(2) -0.0029(17) 0.0073(18) -0.0042(18) C6 0.022(2) 0.027(2) 0.019(2) -0.0007(17) 0.0109(18) -0.0019(18) C7 0.029(3) 0.034(3) 0.024(2) -0.0075(19) 0.007(2) -0.003(2) C8 0.034(3) 0.031(3) 0.034(3) -0.014(2) 0.016(2) -0.007(2) C9 0.028(3) 0.021(2) 0.034(3) -0.0048(19) 0.018(2) 0.0021(19) C10 0.021(2) 0.020(2) 0.025(2) -0.0021(17) 0.0116(19) -0.0011(17) C11 0.023(2) 0.014(2) 0.030(2) 0.0037(17) 0.0126(19) 0.0011(17) C12 0.027(3) 0.023(2) 0.038(3) 0.002(2) 0.017(2) 0.0035(19) C13 0.022(3) 0.027(3) 0.049(3) 0.013(2) 0.010(2) 0.004(2) C14 0.037(3) 0.026(2) 0.031(3) 0.008(2) 0.001(2) 0.002(2) C15 0.035(3) 0.022(2) 0.023(2) 0.0036(18) 0.006(2) 0.003(2) C16 0.027(3) 0.022(2) 0.028(2) 0.0077(18) 0.010(2) 0.0056(18) C17 0.034(3) 0.022(2) 0.042(3) 0.011(2) 0.014(2) 0.003(2) C18 0.044(3) 0.019(2) 0.040(3) 0.001(2) 0.015(2) -0.003(2) C19 0.038(3) 0.025(3) 0.029(3) -0.0022(19) 0.010(2) 0.000(2) C20 0.023(2) 0.023(2) 0.024(2) 0.0034(18) 0.0089(19) 0.0037(18) C21 0.026(3) 0.017(2) 0.024(2) -0.0005(17) 0.0082(19) 0.0008(18) C22 0.029(3) 0.024(2) 0.026(2) -0.0008(18) 0.010(2) 0.0039(19) C23 0.022(3) 0.032(3) 0.032(3) -0.003(2) 0.015(2) -0.0009(19) C24 0.027(3) 0.025(2) 0.019(2) -0.0022(17) 0.0100(19) -0.0064(19) C25 0.019(2) 0.022(2) 0.015(2) 0.0003(16) 0.0058(17) -0.0025(17) C26 0.017(2) 0.019(2) 0.022(2) 0.0004(17) 0.0076(18) -0.0017(17) C27 0.026(3) 0.028(2) 0.018(2) 0.0042(18) 0.0080(19) -0.0002(19) C28 0.029(3) 0.027(2) 0.031(3) 0.0089(19) 0.009(2) 0.002(2) C29 0.034(3) 0.024(2) 0.031(3) 0.008(2) 0.008(2) 0.004(2) C30 0.026(3) 0.022(2) 0.028(2) -0.0009(18) 0.012(2) -0.0032(18) C31 0.037(3) 0.025(2) 0.024(2) 0.0024(19) 0.011(2) -0.002(2) C32 0.040(3) 0.035(3) 0.036(3) 0.003(2) 0.023(2) -0.001(2) C33 0.033(3) 0.036(3) 0.043(3) 0.008(2) 0.022(2) -0.001(2) C34 0.030(3) 0.031(3) 0.038(3) -0.003(2) 0.009(2) -0.008(2) C35 0.028(3) 0.022(2) 0.030(3) 0.0037(18) 0.011(2) -0.0021(19) C36 0.023(3) 0.026(2) 0.032(3) -0.0043(19) 0.009(2) -0.0030(19) C37 0.040(3) 0.023(2) 0.045(3) -0.005(2) 0.016(2) -0.007(2) C38 0.041(3) 0.028(3) 0.050(3) -0.019(2) 0.015(3) -0.006(2) C39 0.034(3) 0.037(3) 0.035(3) -0.014(2) 0.012(2) -0.005(2) C40 0.019(2) 0.033(3) 0.026(2) -0.0060(19) 0.0063(19) -0.0008(19) C41 0.025(3) 0.036(3) 0.021(2) -0.0071(19) 0.0051(19) -0.003(2) C42 0.032(3) 0.059(4) 0.021(2) -0.001(2) 0.010(2) -0.006(3) C43 0.045(4) 0.056(4) 0.025(3) 0.007(2) 0.004(2) -0.005(3) C44 0.032(3) 0.052(3) 0.034(3) 0.005(3) 0.002(2) 0.004(3) C45 0.028(3) 0.047(3) 0.025(2) -0.008(2) 0.006(2) -0.003(2) N01 0.080(6) 0.165(9) 0.079(5) 0.007(5) 0.004(4) 0.052(6) N02 0.063(4) 0.062(4) 0.056(4) -0.016(3) 0.017(3) -0.023(3) N03 0.050(4) 0.063(4) 0.076(4) -0.027(3) 0.004(3) 0.013(3) C01 0.057(5) 0.082(6) 0.075(5) 0.021(4) 0.016(4) 0.022(4) C02 0.067(6) 0.073(6) 0.187(11) 0.042(6) 0.061(7) 0.025(5) C03 0.063(5) 0.047(4) 0.030(3) -0.005(2) 0.019(3) -0.015(3) C04 0.059(5) 0.115(7) 0.047(4) -0.001(4) 0.016(4) -0.026(5) C05 0.057(5) 0.050(4) 0.057(4) -0.013(3) -0.012(4) 0.018(4) C06 0.102(7) 0.071(6) 0.083(6) -0.001(5) -0.012(5) -0.011(5) _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 O1 2.343(3) . ? Eu1 O3 2.358(3) . ? Eu1 O5 2.359(3) . ? Eu1 O6 2.370(3) . ? Eu1 O7 2.384(3) . ? Eu1 O8 2.427(3) . ? Eu1 O4 2.452(3) . ? Eu1 O2 2.466(3) . ? Eu1 N1 3.191(4) . ? Cl1 O11 1.420(4) . ? Cl1 O13 1.427(5) . ? Cl1 O12 1.427(4) . ? Cl1 O10 1.435(4) . ? Cl2 O16 1.409(6) . ? Cl2 O15 1.411(5) . ? Cl2 O14 1.422(5) . ? Cl2 O17 1.431(5) . ? Cl3 O18 1.304(6) . ? Cl3 O20 1.361(6) . ? Cl3 O21 1.367(6) . ? Cl3 O19 1.559(8) . ? O1 N1 1.341(4) . ? O2 N2 1.323(5) . ? O3 N3 1.324(5) . ? O4 N4 1.328(5) . ? O5 N5 1.320(5) . ? O6 N6 1.332(4) . ? O7 N7 1.325(5) . ? O8 N8 1.340(5) . ? O9 N9 1.293(5) . ? N1 C1 1.345(6) . ? N1 C5 1.363(6) . ? N2 C10 1.347(6) . ? N2 C6 1.367(6) . ? N3 C15 1.349(6) . ? N3 C11 1.364(6) . ? N4 C16 1.360(6) . ? N4 C20 1.361(6) . ? N5 C21 1.360(5) . ? N5 C25 1.362(5) . ? N6 C30 1.357(6) . ? N6 C26 1.361(6) . ? N7 C31 1.347(6) . ? N7 C35 1.355(6) . ? N8 C40 1.368(6) . ? N8 C36 1.373(6) . ? N9 C42 1.362(7) . ? N9 C41 1.376(6) . ? C1 C2 1.388(7) . ? C2 C3 1.366(7) . ? C3 C4 1.383(7) . ? C4 C5 1.390(6) . ? C5 C6 1.470(6) . ? C6 C7 1.387(6) . ? C7 C8 1.386(7) . ? C8 C9 1.372(7) . ? C9 C10 1.398(6) . ? C10 C11 1.481(6) . ? C11 C12 1.381(6) . ? C12 C13 1.380(7) . ? C13 C14 1.385(8) . ? C14 C15 1.368(7) . ? C16 C17 1.382(7) . ? C17 C18 1.372(7) . ? C18 C19 1.378(7) . ? C19 C20 1.378(7) . ? C20 C21 1.480(6) . ? C21 C22 1.378(7) . ? C22 C23 1.372(7) . ? C23 C24 1.377(6) . ? C24 C25 1.388(6) . ? C25 C26 1.460(6) . ? C26 C27 1.391(6) . ? C27 C28 1.374(7) . ? C28 C29 1.381(7) . ? C29 C30 1.372(7) . ? C31 C32 1.364(7) . ? C32 C33 1.389(8) . ? C33 C34 1.370(7) . ? C34 C35 1.387(7) . ? C35 C36 1.480(7) . ? C36 C37 1.380(7) . ? C37 C38 1.377(8) . ? C38 C39 1.386(8) . ? C39 C40 1.376(7) . ? C40 C41 1.476(7) . ? C41 C45 1.373(7) . ? C42 C43 1.361(8) . ? C43 C44 1.369(8) . ? C44 C45 1.390(8) . ? N01 C01 1.110(10) . ? N02 C03 1.121(8) . ? N03 C05 1.144(9) . ? C01 C02 1.444(11) . ? C03 C04 1.437(10) . ? C05 C06 1.450(11) . ? 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 O1 Eu1 O3 98.33(11) . . ? O1 Eu1 O5 130.30(10) . . ? O3 Eu1 O5 101.97(10) . . ? O1 Eu1 O6 73.71(10) . . ? O3 Eu1 O6 72.06(11) . . ? O5 Eu1 O6 70.38(10) . . ? O1 Eu1 O7 93.08(10) . . ? O3 Eu1 O7 132.53(10) . . ? O5 Eu1 O7 105.01(10) . . ? O6 Eu1 O7 154.44(11) . . ? O1 Eu1 O8 155.61(10) . . ? O3 Eu1 O8 79.34(11) . . ? O5 Eu1 O8 73.35(10) . . ? O6 Eu1 O8 127.02(10) . . ? O7 Eu1 O8 72.13(10) . . ? O1 Eu1 O4 75.27(10) . . ? O3 Eu1 O4 158.53(11) . . ? O5 Eu1 O4 69.39(10) . . ? O6 Eu1 O4 86.47(10) . . ? O7 Eu1 O4 68.81(11) . . ? O8 Eu1 O4 114.93(10) . . ? O1 Eu1 O2 71.66(10) . . ? O3 Eu1 O2 68.84(10) . . ? O5 Eu1 O2 157.96(10) . . ? O6 Eu1 O2 122.07(10) . . ? O7 Eu1 O2 71.58(10) . . ? O8 Eu1 O2 85.08(10) . . ? O4 Eu1 O2 125.93(10) . . ? O1 Eu1 N1 21.90(10) . . ? O3 Eu1 N1 109.21(10) . . ? O5 Eu1 N1 139.63(10) . . ? O6 Eu1 N1 95.28(10) . . ? O7 Eu1 N1 71.66(10) . . ? O8 Eu1 N1 136.54(10) . . ? O4 Eu1 N1 72.29(10) . . ? O2 Eu1 N1 61.17(10) . . ? O11 Cl1 O13 111.3(4) . . ? O11 Cl1 O12 109.3(3) . . ? O13 Cl1 O12 110.3(3) . . ? O11 Cl1 O10 108.2(3) . . ? O13 Cl1 O10 109.0(3) . . ? O12 Cl1 O10 108.7(3) . . ? O16 Cl2 O15 109.0(3) . . ? O16 Cl2 O14 110.9(4) . . ? O15 Cl2 O14 109.7(4) . . ? O16 Cl2 O17 109.3(4) . . ? O15 Cl2 O17 110.0(3) . . ? O14 Cl2 O17 107.9(3) . . ? O18 Cl3 O20 114.5(5) . . ? O18 Cl3 O21 117.0(6) . . ? O20 Cl3 O21 119.8(5) . . ? O18 Cl3 O19 96.9(7) . . ? O20 Cl3 O19 100.8(5) . . ? O21 Cl3 O19 101.8(5) . . ? N1 O1 Eu1 117.4(2) . . ? N2 O2 Eu1 117.5(2) . . ? N3 O3 Eu1 132.7(2) . . ? N4 O4 Eu1 119.8(2) . . ? N5 O5 Eu1 124.5(2) . . ? N6 O6 Eu1 121.8(2) . . ? N7 O7 Eu1 125.0(2) . . ? N8 O8 Eu1 120.1(2) . . ? O1 N1 C1 119.0(4) . . ? O1 N1 C5 118.4(4) . . ? C1 N1 C5 122.7(4) . . ? O1 N1 Eu1 40.67(17) . . ? C1 N1 Eu1 110.1(3) . . ? C5 N1 Eu1 113.4(3) . . ? O2 N2 C10 120.4(4) . . ? O2 N2 C6 118.9(3) . . ? C10 N2 C6 120.7(4) . . ? O3 N3 C15 118.7(4) . . ? O3 N3 C11 120.8(4) . . ? C15 N3 C11 120.3(4) . . ? O4 N4 C16 119.4(4) . . ? O4 N4 C20 119.5(4) . . ? C16 N4 C20 121.1(4) . . ? O5 N5 C21 119.6(3) . . ? O5 N5 C25 119.9(3) . . ? C21 N5 C25 120.5(4) . . ? O6 N6 C30 118.7(4) . . ? O6 N6 C26 120.3(4) . . ? C30 N6 C26 121.0(4) . . ? O7 N7 C31 119.2(4) . . ? O7 N7 C35 119.7(4) . . ? C31 N7 C35 121.0(4) . . ? O8 N8 C40 120.7(4) . . ? O8 N8 C36 118.5(4) . . ? C40 N8 C36 120.8(4) . . ? O9 N9 C42 119.8(4) . . ? O9 N9 C41 121.7(4) . . ? C42 N9 C41 118.5(5) . . ? N1 C1 C2 118.9(4) . . ? C3 C2 C1 120.4(5) . . ? C2 C3 C4 119.6(5) . . ? C3 C4 C5 119.9(5) . . ? N1 C5 C4 118.5(4) . . ? N1 C5 C6 117.2(4) . . ? C4 C5 C6 124.2(4) . . ? N2 C6 C7 119.7(4) . . ? N2 C6 C5 118.4(4) . . ? C7 C6 C5 121.8(4) . . ? C8 C7 C6 120.4(5) . . ? C9 C8 C7 118.5(4) . . ? C8 C9 C10 120.5(5) . . ? N2 C10 C9 119.9(4) . . ? N2 C10 C11 119.6(4) . . ? C9 C10 C11 120.4(4) . . ? N3 C11 C12 119.6(4) . . ? N3 C11 C10 119.0(4) . . ? C12 C11 C10 121.0(4) . . ? C13 C12 C11 120.5(5) . . ? C12 C13 C14 118.7(5) . . ? C15 C14 C13 119.7(5) . . ? N3 C15 C14 121.3(5) . . ? N4 C16 C17 119.2(4) . . ? C18 C17 C16 121.0(4) . . ? C17 C18 C19 118.4(5) . . ? C20 C19 C18 120.8(5) . . ? N4 C20 C19 119.4(4) . . ? N4 C20 C21 118.0(4) . . ? C19 C20 C21 122.1(4) . . ? N5 C21 C22 120.7(4) . . ? N5 C21 C20 119.0(4) . . ? C22 C21 C20 120.3(4) . . ? C23 C22 C21 119.3(4) . . ? C22 C23 C24 119.8(4) . . ? C23 C24 C25 120.2(4) . . ? N5 C25 C24 119.1(4) . . ? N5 C25 C26 120.0(4) . . ? C24 C25 C26 120.9(4) . . ? N6 C26 C27 119.1(4) . . ? N6 C26 C25 119.0(4) . . ? C27 C26 C25 121.7(4) . . ? C28 C27 C26 120.6(4) . . ? C27 C28 C29 118.8(4) . . ? C30 C29 C28 120.4(5) . . ? N6 C30 C29 120.2(4) . . ? N7 C31 C32 121.0(5) . . ? C31 C32 C33 119.2(5) . . ? C34 C33 C32 119.3(5) . . ? C33 C34 C35 120.3(5) . . ? N7 C35 C34 119.1(4) . . ? N7 C35 C36 118.8(4) . . ? C34 C35 C36 121.8(4) . . ? N8 C36 C37 119.8(4) . . ? N8 C36 C35 119.1(4) . . ? C37 C36 C35 120.8(4) . . ? C38 C37 C36 120.0(5) . . ? C37 C38 C39 119.5(5) . . ? C40 C39 C38 120.3(5) . . ? N8 C40 C39 119.6(5) . . ? N8 C40 C41 119.2(4) . . ? C39 C40 C41 121.1(4) . . ? C45 C41 N9 119.7(5) . . ? C45 C41 C40 124.0(5) . . ? N9 C41 C40 116.1(4) . . ? C43 C42 N9 121.9(5) . . ? C42 C43 C44 121.0(5) . . ? C43 C44 C45 117.3(5) . . ? C41 C45 C44 121.6(5) . . ? N01 C01 C02 178.2(10) . . ? N02 C03 C04 179.5(9) . . ? N03 C05 C06 178.6(9) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O3 Eu1 O1 N1 121.8(3) . . . . ? O5 Eu1 O1 N1 -124.6(3) . . . . ? O6 Eu1 O1 N1 -169.7(3) . . . . ? O7 Eu1 O1 N1 -12.0(3) . . . . ? O8 Eu1 O1 N1 39.3(4) . . . . ? O4 Eu1 O1 N1 -79.1(3) . . . . ? O2 Eu1 O1 N1 57.5(3) . . . . ? O1 Eu1 O2 N2 47.5(3) . . . . ? O3 Eu1 O2 N2 -59.5(3) . . . . ? O5 Eu1 O2 N2 -128.2(3) . . . . ? O6 Eu1 O2 N2 -8.7(3) . . . . ? O7 Eu1 O2 N2 147.2(3) . . . . ? O8 Eu1 O2 N2 -140.0(3) . . . . ? O4 Eu1 O2 N2 102.6(3) . . . . ? N1 Eu1 O2 N2 68.5(3) . . . . ? O1 Eu1 O3 N3 -111.3(3) . . . . ? O5 Eu1 O3 N3 114.3(3) . . . . ? O6 Eu1 O3 N3 178.9(4) . . . . ? O7 Eu1 O3 N3 -9.3(4) . . . . ? O8 Eu1 O3 N3 44.0(3) . . . . ? O4 Eu1 O3 N3 177.9(3) . . . . ? O2 Eu1 O3 N3 -44.8(3) . . . . ? N1 Eu1 O3 N3 -91.7(3) . . . . ? O1 Eu1 O4 N4 156.1(3) . . . . ? O3 Eu1 O4 N4 -128.9(3) . . . . ? O5 Eu1 O4 N4 -59.5(3) . . . . ? O6 Eu1 O4 N4 -129.8(3) . . . . ? O7 Eu1 O4 N4 56.8(3) . . . . ? O8 Eu1 O4 N4 -0.3(3) . . . . ? O2 Eu1 O4 N4 102.4(3) . . . . ? N1 Eu1 O4 N4 133.5(3) . . . . ? O1 Eu1 O5 N5 1.2(3) . . . . ? O3 Eu1 O5 N5 113.2(3) . . . . ? O6 Eu1 O5 N5 47.4(3) . . . . ? O7 Eu1 O5 N5 -106.3(3) . . . . ? O8 Eu1 O5 N5 -172.0(3) . . . . ? O4 Eu1 O5 N5 -46.3(3) . . . . ? O2 Eu1 O5 N5 175.8(3) . . . . ? N1 Eu1 O5 N5 -27.1(3) . . . . ? O1 Eu1 O6 N6 -157.8(3) . . . . ? O3 Eu1 O6 N6 -53.1(3) . . . . ? O5 Eu1 O6 N6 57.2(3) . . . . ? O7 Eu1 O6 N6 141.0(3) . . . . ? O8 Eu1 O6 N6 7.7(3) . . . . ? O4 Eu1 O6 N6 126.6(3) . . . . ? O2 Eu1 O6 N6 -102.5(3) . . . . ? N1 Eu1 O6 N6 -161.6(3) . . . . ? O1 Eu1 O7 N7 111.6(3) . . . . ? O3 Eu1 O7 N7 7.4(4) . . . . ? O5 Eu1 O7 N7 -115.2(3) . . . . ? O6 Eu1 O7 N7 169.0(3) . . . . ? O8 Eu1 O7 N7 -48.6(3) . . . . ? O4 Eu1 O7 N7 -175.5(3) . . . . ? O2 Eu1 O7 N7 42.1(3) . . . . ? N1 Eu1 O7 N7 106.9(3) . . . . ? O1 Eu1 O8 N8 -110.0(3) . . . . ? O3 Eu1 O8 N8 163.3(3) . . . . ? O5 Eu1 O8 N8 57.3(3) . . . . ? O6 Eu1 O8 N8 105.6(3) . . . . ? O7 Eu1 O8 N8 -55.1(3) . . . . ? O4 Eu1 O8 N8 0.2(3) . . . . ? O2 Eu1 O8 N8 -127.3(3) . . . . ? N1 Eu1 O8 N8 -89.9(3) . . . . ? Eu1 O1 N1 C1 87.6(4) . . . . ? Eu1 O1 N1 C5 -93.7(4) . . . . ? O3 Eu1 N1 O1 -62.9(3) . . . . ? O5 Eu1 N1 O1 75.6(3) . . . . ? O6 Eu1 N1 O1 9.9(3) . . . . ? O7 Eu1 N1 O1 167.4(3) . . . . ? O8 Eu1 N1 O1 -157.7(3) . . . . ? O4 Eu1 N1 O1 94.5(3) . . . . ? O2 Eu1 N1 O1 -114.0(3) . . . . ? O1 Eu1 N1 C1 -111.5(4) . . . . ? O3 Eu1 N1 C1 -174.4(3) . . . . ? O5 Eu1 N1 C1 -35.9(4) . . . . ? O6 Eu1 N1 C1 -101.5(3) . . . . ? O7 Eu1 N1 C1 55.9(3) . . . . ? O8 Eu1 N1 C1 90.9(3) . . . . ? O4 Eu1 N1 C1 -17.0(3) . . . . ? O2 Eu1 N1 C1 134.6(3) . . . . ? O1 Eu1 N1 C5 106.9(4) . . . . ? O3 Eu1 N1 C5 44.0(3) . . . . ? O5 Eu1 N1 C5 -177.5(3) . . . . ? O6 Eu1 N1 C5 116.8(3) . . . . ? O7 Eu1 N1 C5 -85.7(3) . . . . ? O8 Eu1 N1 C5 -50.8(3) . . . . ? O4 Eu1 N1 C5 -158.6(3) . . . . ? O2 Eu1 N1 C5 -7.1(3) . . . . ? Eu1 O2 N2 C10 92.6(4) . . . . ? Eu1 O2 N2 C6 -88.9(4) . . . . ? Eu1 O3 N3 C15 -104.1(4) . . . . ? Eu1 O3 N3 C11 81.4(5) . . . . ? Eu1 O4 N4 C16 -94.5(4) . . . . ? Eu1 O4 N4 C20 87.3(4) . . . . ? Eu1 O5 N5 C21 93.1(4) . . . . ? Eu1 O5 N5 C25 -90.4(4) . . . . ? Eu1 O6 N6 C30 93.5(4) . . . . ? Eu1 O6 N6 C26 -88.5(4) . . . . ? Eu1 O7 N7 C31 -97.4(4) . . . . ? Eu1 O7 N7 C35 83.2(4) . . . . ? Eu1 O8 N8 C40 -96.6(4) . . . . ? Eu1 O8 N8 C36 85.1(4) . . . . ? O1 N1 C1 C2 178.2(4) . . . . ? C5 N1 C1 C2 -0.5(7) . . . . ? Eu1 N1 C1 C2 -137.9(4) . . . . ? N1 C1 C2 C3 -0.9(7) . . . . ? C1 C2 C3 C4 1.1(8) . . . . ? C2 C3 C4 C5 -0.1(8) . . . . ? O1 N1 C5 C4 -177.2(4) . . . . ? C1 N1 C5 C4 1.5(7) . . . . ? Eu1 N1 C5 C4 137.7(4) . . . . ? O1 N1 C5 C6 -0.7(6) . . . . ? C1 N1 C5 C6 177.9(4) . . . . ? Eu1 N1 C5 C6 -45.9(4) . . . . ? C3 C4 C5 N1 -1.2(7) . . . . ? C3 C4 C5 C6 -177.4(5) . . . . ? O2 N2 C6 C7 -175.9(4) . . . . ? C10 N2 C6 C7 2.6(6) . . . . ? O2 N2 C6 C5 4.4(6) . . . . ? C10 N2 C6 C5 -177.1(4) . . . . ? N1 C5 C6 N2 63.9(6) . . . . ? C4 C5 C6 N2 -119.9(5) . . . . ? N1 C5 C6 C7 -115.9(5) . . . . ? C4 C5 C6 C7 60.4(7) . . . . ? N2 C6 C7 C8 0.2(7) . . . . ? C5 C6 C7 C8 179.9(4) . . . . ? C6 C7 C8 C9 -2.4(7) . . . . ? C7 C8 C9 C10 1.9(7) . . . . ? O2 N2 C10 C9 175.3(4) . . . . ? C6 N2 C10 C9 -3.2(6) . . . . ? O2 N2 C10 C11 -1.2(6) . . . . ? C6 N2 C10 C11 -179.7(4) . . . . ? C8 C9 C10 N2 0.9(7) . . . . ? C8 C9 C10 C11 177.4(4) . . . . ? O3 N3 C11 C12 175.2(4) . . . . ? C15 N3 C11 C12 0.8(6) . . . . ? O3 N3 C11 C10 2.8(6) . . . . ? C15 N3 C11 C10 -171.5(4) . . . . ? N2 C10 C11 N3 -59.8(6) . . . . ? C9 C10 C11 N3 123.7(5) . . . . ? N2 C10 C11 C12 127.9(5) . . . . ? C9 C10 C11 C12 -48.6(6) . . . . ? N3 C11 C12 C13 0.1(7) . . . . ? C10 C11 C12 C13 172.4(4) . . . . ? C11 C12 C13 C14 -0.8(7) . . . . ? C12 C13 C14 C15 0.6(7) . . . . ? O3 N3 C15 C14 -175.5(4) . . . . ? C11 N3 C15 C14 -1.1(7) . . . . ? C13 C14 C15 N3 0.3(7) . . . . ? O4 N4 C16 C17 -180.0(4) . . . . ? C20 N4 C16 C17 -1.8(7) . . . . ? N4 C16 C17 C18 1.1(8) . . . . ? C16 C17 C18 C19 0.7(8) . . . . ? C17 C18 C19 C20 -1.8(8) . . . . ? O4 N4 C20 C19 178.9(4) . . . . ? C16 N4 C20 C19 0.8(7) . . . . ? O4 N4 C20 C21 6.4(6) . . . . ? C16 N4 C20 C21 -171.7(4) . . . . ? C18 C19 C20 N4 1.1(8) . . . . ? C18 C19 C20 C21 173.2(5) . . . . ? O5 N5 C21 C22 170.1(4) . . . . ? C25 N5 C21 C22 -6.4(6) . . . . ? O5 N5 C21 C20 -9.7(6) . . . . ? C25 N5 C21 C20 173.8(4) . . . . ? N4 C20 C21 N5 -59.4(6) . . . . ? C19 C20 C21 N5 128.4(5) . . . . ? N4 C20 C21 C22 120.8(5) . . . . ? C19 C20 C21 C22 -51.5(7) . . . . ? N5 C21 C22 C23 1.0(7) . . . . ? C20 C21 C22 C23 -179.2(4) . . . . ? C21 C22 C23 C24 3.3(7) . . . . ? C22 C23 C24 C25 -2.3(7) . . . . ? O5 N5 C25 C24 -169.1(4) . . . . ? C21 N5 C25 C24 7.4(6) . . . . ? O5 N5 C25 C26 7.5(6) . . . . ? C21 N5 C25 C26 -176.0(4) . . . . ? C23 C24 C25 N5 -3.1(6) . . . . ? C23 C24 C25 C26 -179.6(4) . . . . ? O6 N6 C26 C27 -177.4(4) . . . . ? C30 N6 C26 C27 0.5(6) . . . . ? O6 N6 C26 C25 -2.9(6) . . . . ? C30 N6 C26 C25 175.1(4) . . . . ? N5 C25 C26 N6 56.9(6) . . . . ? C24 C25 C26 N6 -126.6(5) . . . . ? N5 C25 C26 C27 -128.7(5) . . . . ? C24 C25 C26 C27 47.9(6) . . . . ? N6 C26 C27 C28 -0.8(7) . . . . ? C25 C26 C27 C28 -175.3(4) . . . . ? C26 C27 C28 C29 0.3(7) . . . . ? C27 C28 C29 C30 0.5(8) . . . . ? O6 N6 C30 C29 178.3(4) . . . . ? C26 N6 C30 C29 0.3(7) . . . . ? C28 C29 C30 N6 -0.8(8) . . . . ? O7 N7 C31 C32 -179.0(4) . . . . ? C35 N7 C31 C32 0.3(7) . . . . ? N7 C31 C32 C33 -0.4(8) . . . . ? C31 C32 C33 C34 1.1(8) . . . . ? C32 C33 C34 C35 -1.9(8) . . . . ? O7 N7 C35 C34 178.2(4) . . . . ? C31 N7 C35 C34 -1.1(7) . . . . ? O7 N7 C35 C36 4.2(6) . . . . ? C31 N7 C35 C36 -175.1(4) . . . . ? C33 C34 C35 N7 1.9(7) . . . . ? C33 C34 C35 C36 175.7(5) . . . . ? O8 N8 C36 C37 179.6(4) . . . . ? C40 N8 C36 C37 1.3(7) . . . . ? O8 N8 C36 C35 5.8(6) . . . . ? C40 N8 C36 C35 -172.5(4) . . . . ? N7 C35 C36 N8 -69.0(6) . . . . ? C34 C35 C36 N8 117.1(5) . . . . ? N7 C35 C36 C37 117.2(5) . . . . ? C34 C35 C36 C37 -56.6(7) . . . . ? N8 C36 C37 C38 0.0(8) . . . . ? C35 C36 C37 C38 173.7(5) . . . . ? C36 C37 C38 C39 -1.4(9) . . . . ? C37 C38 C39 C40 1.5(8) . . . . ? O8 N8 C40 C39 -179.4(4) . . . . ? C36 N8 C40 C39 -1.2(7) . . . . ? O8 N8 C40 C41 -4.4(6) . . . . ? C36 N8 C40 C41 173.9(4) . . . . ? C38 C39 C40 N8 -0.2(8) . . . . ? C38 C39 C40 C41 -175.2(5) . . . . ? O9 N9 C41 C45 178.0(4) . . . . ? C42 N9 C41 C45 -0.4(7) . . . . ? O9 N9 C41 C40 -6.9(6) . . . . ? C42 N9 C41 C40 174.7(4) . . . . ? N8 C40 C41 C45 -50.6(7) . . . . ? C39 C40 C41 C45 124.4(6) . . . . ? N8 C40 C41 N9 134.6(4) . . . . ? C39 C40 C41 N9 -50.5(6) . . . . ? O9 N9 C42 C43 -177.2(5) . . . . ? C41 N9 C42 C43 1.3(7) . . . . ? N9 C42 C43 C44 -1.3(8) . . . . ? C42 C43 C44 C45 0.3(8) . . . . ? N9 C41 C45 C44 -0.5(7) . . . . ? C40 C41 C45 C44 -175.2(5) . . . . ? C43 C44 C45 C41 0.5(8) . . . . ? _diffrn_measured_fraction_theta_max 0.974 _diffrn_reflns_theta_full 27.50 _diffrn_measured_fraction_theta_full 0.974 _refine_diff_density_max 2.034 _refine_diff_density_min -2.567 _refine_diff_density_rms 0.246