# Supplementary Material (ESI) for Journal of Materials Chemistry # This journal is (c) The Royal Society of Chemistry 2011 data_global _journal_name_full J.Mater.Chem. _journal_coden_cambridge 1145 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_email dcx@zzu.edu.cn _publ_contact_author_name 'Chen-Xia Du' _publ_author_name 'Chen-Xia Du' data_w1 _database_code_depnum_ccdc_archive 'CCDC 807138' #TrackingRef 'p21c.cif' _audit_creation_date ; 'Wed Dec 22 22:42:57 2010' ; _audit_creation_method ; CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.34.39 (release 18-08-2010 CrysAlis171 .NET) (compiled Aug 18 2010,17:42:00) ; _chemical_name_common ? _chemical_name_systematic ; ? ; _chemical_formula_moiety 'C68 H47 Eu N2 O6' _chemical_formula_sum 'C68 H47 Eu N2 O6' _chemical_formula_weight 1140.04 _chemical_melting_point ? _chemical_oxdiff_formula 'C40 H40 N4 O6 Eu1' 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' Eu Eu -0.1578 3.6682 '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' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/c 1' _space_group_name_Hall '-P 2ybc' loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 'x, y, z' 2 '-x, y+1/2, -z+1/2' 3 '-x, -y, -z' 4 'x, -y-1/2, z-1/2' _cell_length_a 13.9453(3) _cell_length_b 19.2725(4) _cell_length_c 24.4221(5) _cell_angle_alpha 90.00 _cell_angle_beta 122.704(2) _cell_angle_gamma 90.00 _cell_volume 5523.2(2) _cell_formula_units_Z 4 _cell_measurement_reflns_used 11397 _cell_measurement_temperature 291(2) _cell_measurement_theta_max 26.3104 _cell_measurement_theta_min 2.8952 _exptl_absorpt_coefficient_mu 1.191 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.93183 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.34.39 (release 18-08-2010 CrysAlis171 .NET) (compiled Aug 18 2010,17:42:00) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour pink _exptl_crystal_density_diffrn 1.371 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_description prismatic _exptl_crystal_F_000 2320 _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.10 _exptl_special_details ; ? ; _diffrn_reflns_av_R_equivalents 0.0250 _diffrn_reflns_av_unetI/netI 0.0661 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_number 25897 _diffrn_reflns_theta_full 26.34 _diffrn_reflns_theta_max 26.3104 _diffrn_reflns_theta_min 2.8952 _diffrn_ambient_temperature 291.0 _diffrn_detector_area_resol_mean 16.2312 _diffrn_measured_fraction_theta_full 0.996 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_details ; #__ type_ start__ end____ width___ exp.time_ 1 omega 4.00 49.00 1.0000 60.0000 omega____ theta____ kappa____ phi______ frames - 19.6323 -77.0000 -30.0000 45 #__ type_ start__ end____ width___ exp.time_ 2 omega -22.00 24.00 1.0000 60.0000 omega____ theta____ kappa____ phi______ frames - 19.6323 -77.0000 -60.0000 46 #__ type_ start__ end____ width___ exp.time_ 3 omega -3.00 90.00 1.0000 60.0000 omega____ theta____ kappa____ phi______ frames - 19.6323 37.0000 120.0000 93 #__ type_ start__ end____ width___ exp.time_ 4 omega 51.00 84.00 1.0000 60.0000 omega____ theta____ kappa____ phi______ frames - 19.6323 37.0000 -120.0000 33 #__ type_ start__ end____ width___ exp.time_ 5 omega -51.00 -23.00 1.0000 60.0000 omega____ theta____ kappa____ phi______ frames - 19.6323 -77.0000 -30.0000 28 ; _diffrn_measurement_device_type 'Xcalibur, Eos, Gemini' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_UB_11 -0.0430971000 _diffrn_orient_matrix_UB_12 -0.0165474000 _diffrn_orient_matrix_UB_13 0.0088915000 _diffrn_orient_matrix_UB_21 -0.0066905000 _diffrn_orient_matrix_UB_22 0.0257035000 _diffrn_orient_matrix_UB_23 0.0241555000 _diffrn_orient_matrix_UB_31 -0.0263444000 _diffrn_orient_matrix_UB_32 0.0205553000 _diffrn_orient_matrix_UB_33 -0.0230584000 _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'Enhance (Mo) X-ray Source' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.7107 _diffrn_standards_decay_% ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_number ? _reflns_number_gt 8831 _reflns_number_total 11227 _reflns_odcompleteness_completeness 99.80 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 26.32 _reflns_threshold_expression >2sigma(I) _computing_cell_refinement ; CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.34.39 (release 18-08-2010 CrysAlis171 .NET) (compiled Aug 18 2010,17:42:00) ; _computing_data_collection ; CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.34.39 (release 18-08-2010 CrysAlis171 .NET) (compiled Aug 18 2010,17:42:00) ; _computing_data_reduction ; CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.34.39 (release 18-08-2010 CrysAlis171 .NET) (compiled Aug 18 2010,17:42:00) ; _computing_molecular_graphics ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_publication_material ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _refine_diff_density_max 0.503 _refine_diff_density_min -0.481 _refine_diff_density_rms 0.055 _refine_ls_extinction_coef ? _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.064 _refine_ls_hydrogen_treatment fixed _refine_ls_matrix_type full _refine_ls_number_parameters 763 _refine_ls_number_reflns 11227 _refine_ls_number_restraints 98 _refine_ls_R_factor_all 0.0484 _refine_ls_R_factor_gt 0.0313 _refine_ls_restrained_S_all 1.063 _refine_ls_shift/su_max 0.005 _refine_ls_shift/su_mean 0.001 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0283P)^2^+0.0820P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0620 _refine_ls_wR_factor_ref 0.0691 _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. ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap 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 -0.213730(6) -0.365470(5) -0.238112(3) 0.03913(3) Uani 1 1 d . . . O1 O -0.29127(12) -0.43223(7) -0.33036(5) 0.0695(5) Uani 1 1 d . . . O2 O -0.25046(9) -0.29429(6) -0.32644(4) 0.0494(4) Uani 1 1 d . . . O3 O -0.16573(9) -0.48500(7) -0.20433(5) 0.0528(4) Uani 1 1 d . . . O4 O -0.02675(9) -0.38577(7) -0.20554(5) 0.0534(4) Uani 1 1 d . . . O5 O -0.35983(9) -0.41090(7) -0.22875(5) 0.0540(4) Uani 1 1 d . . . O6 O -0.31116(9) -0.27448(6) -0.22282(5) 0.0503(4) Uani 1 1 d . . . N1 N -0.10892(11) -0.36341(7) -0.11004(6) 0.0425(4) Uani 1 1 d . . . N2 N -0.08418(10) -0.25117(8) -0.18547(5) 0.0407(4) Uani 1 1 d . . . C1 C -0.30763(18) -0.55739(11) -0.38269(10) 0.0762(7) Uani 1 1 d . . . H1 H -0.2790 -0.5538 -0.3385 0.091 Uiso 1 1 calc R . . C2 C -0.3325(2) -0.62184(13) -0.41180(14) 0.1047(10) Uani 1 1 d . . . H2 H -0.3203 -0.6613 -0.3869 0.126 Uiso 1 1 calc R . . C3 C -0.3746(2) -0.62839(13) -0.47651(13) 0.1021(9) Uani 1 1 d . . . H3 H -0.3920 -0.6720 -0.4960 0.123 Uiso 1 1 calc R . . C4 C -0.39069(19) -0.57124(13) -0.51185(11) 0.0927(8) Uani 1 1 d . . . H4 H -0.4191 -0.5754 -0.5560 0.111 Uiso 1 1 calc R . . C5 C -0.36578(17) -0.50672(12) -0.48371(9) 0.0763(7) Uani 1 1 d . . . H5 H -0.3766 -0.4677 -0.5089 0.092 Uiso 1 1 calc R . . C6 C -0.32475(14) -0.49902(10) -0.41823(8) 0.0535(5) Uani 1 1 d . . . C7 C -0.30202(14) -0.43052(10) -0.38507(8) 0.0507(5) Uani 1 1 d . . . C8 C -0.29505(15) -0.36930(10) -0.41297(8) 0.0536(5) Uani 1 1 d . . . H8 H -0.3046 -0.3720 -0.4537 0.064 Uiso 1 1 calc R . . C9 C -0.27462(13) -0.30435(10) -0.38378(7) 0.0435(5) Uani 1 1 d . . . C10 C -0.28298(13) -0.24106(10) -0.42166(7) 0.0457(5) Uani 1 1 d . . . C11 C -0.30417(14) -0.17806(10) -0.40347(8) 0.0512(5) Uani 1 1 d D . . H11 H -0.3117 -0.1759 -0.3679 0.061 Uiso 1 1 calc R . . C12 C -0.31449(16) -0.11788(11) -0.43723(9) 0.0639(7) Uani 1 1 d D . . H12 H -0.3297 -0.0758 -0.4247 0.077 Uiso 1 1 calc R . . C13 C -0.30209(17) -0.12073(11) -0.48926(9) 0.0703(7) Uani 1 1 d D . . H13 H -0.3091 -0.0805 -0.5122 0.084 Uiso 1 1 calc R . . C14 C -0.27954(17) -0.18235(12) -0.50730(9) 0.0715(7) Uani 1 1 d D . . H14 H -0.2702 -0.1838 -0.5422 0.086 Uiso 1 1 calc R . . C15 C -0.27032(15) -0.24273(11) -0.47428(8) 0.0607(6) Uani 1 1 d D . . H15 H -0.2556 -0.2846 -0.4873 0.073 Uiso 1 1 calc R . . C16 C -0.20748(17) -0.62340(11) -0.20528(9) 0.0626(7) Uani 1 1 d . . . H16 H -0.2651 -0.5913 -0.2165 0.075 Uiso 1 1 calc R . . C17 C -0.23140(18) -0.69349(12) -0.20902(9) 0.0733(7) Uani 1 1 d . . . H17 H -0.3040 -0.7084 -0.2217 0.088 Uiso 1 1 calc R . . C18 C -0.14696(18) -0.74116(11) -0.19386(8) 0.0685(7) Uani 1 1 d . . . H18 H -0.1627 -0.7884 -0.1969 0.082 Uiso 1 1 calc R . . C19 C -0.04037(17) -0.71910(11) -0.17444(9) 0.0661(7) Uani 1 1 d . . . H19 H 0.0166 -0.7514 -0.1641 0.079 Uiso 1 1 calc R . . C20 C -0.01651(16) -0.64936(10) -0.17004(8) 0.0540(6) Uani 1 1 d . . . H20 H 0.0567 -0.6350 -0.1567 0.065 Uiso 1 1 calc R . . C21 C -0.09956(13) -0.60003(10) -0.18518(7) 0.0436(5) Uani 1 1 d . . . C22 C -0.07977(14) -0.52304(10) -0.18322(7) 0.0444(5) Uani 1 1 d . . . C23 C 0.03035(14) -0.49677(10) -0.15873(8) 0.0546(6) Uani 1 1 d . . . H23 H 0.0923 -0.5263 -0.1351 0.066 Uiso 1 1 calc R . . C24 C 0.05087(14) -0.42836(10) -0.16834(8) 0.0485(5) Uani 1 1 d . . . C25 C 0.17003(14) -0.40125(10) -0.13508(8) 0.0523(5) Uani 1 1 d . . . C26 C 0.25816(16) -0.42886(11) -0.07716(10) 0.0726(8) Uani 1 1 d . . . H26 H 0.2448 -0.4664 -0.0582 0.087 Uiso 1 1 calc R . . C27 C 0.36677(18) -0.40030(14) -0.04735(12) 0.0924(10) Uani 1 1 d . . . H27 H 0.4261 -0.4193 -0.0087 0.111 Uiso 1 1 calc R . . C28 C 0.38735(18) -0.34438(14) -0.07433(12) 0.0911(9) Uani 1 1 d . . . H28 H 0.4601 -0.3254 -0.0539 0.109 Uiso 1 1 calc R . . C29 C 0.30026(16) -0.31650(13) -0.13152(11) 0.0796(8) Uani 1 1 d . . . H29 H 0.3140 -0.2788 -0.1501 0.096 Uiso 1 1 calc R . . C30 C 0.19202(16) -0.34445(12) -0.16153(10) 0.0657(7) Uani 1 1 d . . . H30 H 0.1331 -0.3249 -0.2000 0.079 Uiso 1 1 calc R . . C36 C -0.47548(16) -0.44847(11) -0.19253(8) 0.0649(6) Uani 1 1 d D . . C35' C -0.5627(3) -0.4388(3) -0.1820(2) 0.0892(9) Uani 0.484(2) 1 d PD A 2 H35 H -0.5950 -0.3953 -0.1863 0.107 Uiso 0.484(2) 1 calc PR A 2 C34' C -0.5997(4) -0.4965(3) -0.1649(2) 0.1140(11) Uani 0.484(2) 1 d PD A 2 H34 H -0.6610 -0.4920 -0.1600 0.137 Uiso 0.484(2) 1 calc PR A 2 C33' C -0.5496(4) -0.5592(3) -0.1552(2) 0.1207(13) Uani 0.484(2) 1 d PD A 2 H33 H -0.5803 -0.5975 -0.1468 0.145 Uiso 0.484(2) 1 calc PR A 2 C32' C -0.4535(4) -0.5672(3) -0.1575(2) 0.1084(14) Uani 0.484(2) 1 d PD A 2 H32 H -0.4168 -0.6099 -0.1485 0.130 Uiso 0.484(2) 1 calc PR A 2 C31' C -0.4137(5) -0.5111(3) -0.1734(2) 0.0889(10) Uani 0.484(2) 1 d PD A 2 H31 H -0.3455 -0.5142 -0.1716 0.107 Uiso 0.484(2) 1 calc PR A 2 C35 C -0.5806(3) -0.4349(3) -0.2010(2) 0.0892(9) Uani 0.516(2) 1 d PD A 1 H35A H -0.6070 -0.3894 -0.2089 0.107 Uiso 0.516(2) 1 calc PR A 1 C34 C -0.6486(4) -0.4859(3) -0.1982(2) 0.1140(11) Uani 0.516(2) 1 d PD A 1 H34A H -0.7160 -0.4742 -0.2012 0.137 Uiso 0.516(2) 1 calc PR A 1 C33 C -0.6148(4) -0.5522(3) -0.1911(2) 0.1207(13) Uani 0.516(2) 1 d PD A 1 H33A H -0.6579 -0.5865 -0.1873 0.145 Uiso 0.516(2) 1 calc PR A 1 C32 C -0.5182(4) -0.5706(3) -0.1893(2) 0.1084(14) Uani 0.516(2) 1 d PD A 1 H32A H -0.4963 -0.6168 -0.1851 0.130 Uiso 0.516(2) 1 calc PR A 1 C31 C -0.4524(5) -0.5177(3) -0.1939(2) 0.0889(10) Uani 0.516(2) 1 d PD A 1 H31A H -0.3920 -0.5300 -0.1979 0.107 Uiso 0.516(2) 1 calc PR A 1 C37 C -0.41444(14) -0.39228(11) -0.20365(7) 0.0479(5) Uani 1 1 d . A . C38 C -0.41890(14) -0.32393(11) -0.18575(7) 0.0522(5) Uani 1 1 d . . . H38 H -0.4588 -0.3153 -0.1659 0.063 Uiso 1 1 calc R A . C39 C -0.36701(14) -0.26834(10) -0.19600(7) 0.0469(5) Uani 1 1 d . A . C40 C -0.37384(15) -0.19686(11) -0.17490(8) 0.0565(6) Uani 1 1 d D . . C41' C -0.4499(5) -0.1795(4) -0.1577(3) 0.0874(8) Uani 0.320(3) 1 d PD A 2 H41 H -0.4886 -0.2147 -0.1514 0.105 Uiso 0.320(3) 1 calc PR A 2 C42' C -0.4704(6) -0.1113(4) -0.1495(3) 0.1009(10) Uani 0.320(3) 1 d PD A 2 H42 H -0.5269 -0.1012 -0.1415 0.121 Uiso 0.320(3) 1 calc PR A 2 C43' C -0.4092(6) -0.0595(4) -0.1531(3) 0.0973(11) Uani 0.320(3) 1 d PD A 2 H43 H -0.4121 -0.0147 -0.1400 0.117 Uiso 0.320(3) 1 calc PR A 2 C44' C -0.3427(6) -0.0756(4) -0.1766(4) 0.1097(13) Uani 0.320(3) 1 d PD A 2 H44 H -0.3037 -0.0413 -0.1837 0.132 Uiso 0.320(3) 1 calc PR A 2 C45' C -0.3350(6) -0.1458(4) -0.1900(4) 0.0833(10) Uani 0.320(3) 1 d PD A 2 H45 H -0.2985 -0.1556 -0.2116 0.100 Uiso 0.320(3) 1 calc PR A 2 C41 C -0.4443(3) -0.1762(2) -0.15477(18) 0.0874(8) Uani 0.680(3) 1 d PD A 1 H41A H -0.4957 -0.2077 -0.1557 0.105 Uiso 0.680(3) 1 calc PR A 1 C42 C -0.4396(3) -0.1089(2) -0.13308(19) 0.1009(10) Uani 0.680(3) 1 d PD A 1 H42A H -0.4884 -0.0963 -0.1199 0.121 Uiso 0.680(3) 1 calc PR A 1 C43 C -0.3675(3) -0.0622(2) -0.13064(18) 0.0973(11) Uani 0.680(3) 1 d PD A 1 H43A H -0.3706 -0.0164 -0.1196 0.117 Uiso 0.680(3) 1 calc PR A 1 C44 C -0.2886(3) -0.0819(2) -0.1445(2) 0.1097(13) Uani 0.680(3) 1 d PD A 1 H44A H -0.2339 -0.0503 -0.1392 0.132 Uiso 0.680(3) 1 calc PR A 1 C45 C -0.2892(3) -0.1480(2) -0.1660(2) 0.0833(10) Uani 0.680(3) 1 d PD A 1 H45A H -0.2346 -0.1609 -0.1748 0.100 Uiso 0.680(3) 1 calc PR A 1 C46 C -0.10460(14) -0.40848(10) -0.06717(7) 0.0510(5) Uani 1 1 d . . . H46 H -0.1470 -0.4491 -0.0830 0.061 Uiso 1 1 calc R . . C47 C -0.04095(15) -0.39803(11) -0.00103(8) 0.0567(6) Uani 1 1 d . . . H47 H -0.0404 -0.4313 0.0267 0.068 Uiso 1 1 calc R . . C48 C 0.02257(15) -0.33770(11) 0.02439(7) 0.0555(6) Uani 1 1 d . . . H48 H 0.0657 -0.3297 0.0690 0.067 Uiso 1 1 calc R . . C49 C 0.01974(13) -0.29026(10) -0.01822(7) 0.0449(5) Uani 1 1 d . B . C50 C -0.04604(12) -0.30648(9) -0.08424(7) 0.0397(5) Uani 1 1 d . . . C51 C -0.03330(12) -0.25109(9) -0.12058(7) 0.0391(4) Uani 1 1 d . . . C52 C 0.03942(13) -0.20094(9) -0.07817(7) 0.0439(5) Uani 1 1 d . B . C53 C 0.06259(16) -0.14496(10) -0.10357(8) 0.0572(6) Uani 1 1 d . . . H53 H 0.1112 -0.1098 -0.0769 0.069 Uiso 1 1 calc R . . C54 C 0.01114(16) -0.14252(10) -0.17026(9) 0.0619(6) Uani 1 1 d . . . H54 H 0.0250 -0.1053 -0.1893 0.074 Uiso 1 1 calc R . . C55 C -0.06097(14) -0.19534(10) -0.20874(7) 0.0504(5) Uani 1 1 d . . . H55 H -0.0954 -0.1918 -0.2536 0.060 Uiso 1 1 calc R . . C56 C 0.08060(14) -0.22118(10) -0.00782(7) 0.0508(5) Uani 1 1 d D . . C57 C 0.2095(3) -0.23517(18) 0.03134(12) 0.0425(7) Uani 0.5307(15) 1 d PD B 1 C58 C 0.2826(3) -0.2790(2) 0.02419(14) 0.0513(9) Uani 0.5307(15) 1 d P B 1 H58 H 0.2517 -0.3083 -0.0117 0.062 Uiso 0.5307(15) 1 calc PR B 1 C59 C 0.3979(3) -0.2799(2) 0.06847(16) 0.0669(12) Uani 0.5307(15) 1 d P B 1 H59 H 0.4434 -0.3103 0.0626 0.080 Uiso 0.5307(15) 1 calc PR B 1 C60 C 0.4487(3) -0.2350(2) 0.12319(18) 0.0695(13) Uani 0.5307(15) 1 d P B 1 H60 H 0.5268 -0.2378 0.1534 0.083 Uiso 0.5307(15) 1 calc PR B 1 C61 C 0.3858(4) -0.1876(3) 0.13276(18) 0.0704(14) Uani 0.5307(15) 1 d P B 1 H61 H 0.4196 -0.1554 0.1664 0.084 Uiso 0.5307(15) 1 calc PR B 1 C62 C 0.2636(3) -0.19080(18) 0.08729(15) 0.0485(9) Uani 0.5307(15) 1 d P B 1 C63 C 0.1782(3) -0.1484(2) 0.08813(16) 0.0517(9) Uani 0.5307(15) 1 d P B 1 C64 C 0.1754(4) -0.0977(3) 0.1230(2) 0.0940(15) Uani 0.5307(15) 1 d P B 1 H64 H 0.2447 -0.0800 0.1565 0.113 Uiso 0.5307(15) 1 calc PR B 1 C65 C 0.0796(5) -0.0694(3) 0.1140(3) 0.1133(16) Uani 0.5307(15) 1 d P B 1 H65 H 0.0851 -0.0363 0.1432 0.136 Uiso 0.5307(15) 1 calc PR B 1 C66 C -0.0263(5) -0.0884(3) 0.0624(2) 0.1040(12) Uani 0.5307(15) 1 d P B 1 H66 H -0.0925 -0.0678 0.0553 0.125 Uiso 0.5307(15) 1 calc PR B 1 C67 C -0.0300(4) -0.1414(3) 0.0201(2) 0.0812(9) Uani 0.5307(15) 1 d P B 1 H67 H -0.0984 -0.1578 -0.0153 0.097 Uiso 0.5307(15) 1 calc PR B 1 C68 C 0.0718(3) -0.1661(2) 0.03465(14) 0.0509(7) Uani 0.5307(15) 1 d PD B 1 C57' C 0.2092(4) -0.2184(2) 0.04262(16) 0.0425(7) Uani 0.4693(15) 1 d PD B 2 C58' C 0.2766(4) -0.2626(3) 0.03772(18) 0.0513(9) Uani 0.4693(15) 1 d P B 2 H58A H 0.2485 -0.2951 0.0043 0.062 Uiso 0.4693(15) 1 calc PR B 2 C59' C 0.3948(4) -0.2576(3) 0.0866(2) 0.0669(12) Uani 0.4693(15) 1 d P B 2 H59A H 0.4487 -0.2864 0.0870 0.080 Uiso 0.4693(15) 1 calc PR B 2 C60' C 0.4239(4) -0.2084(3) 0.1327(2) 0.0695(13) Uani 0.4693(15) 1 d P B 2 H60A H 0.5008 -0.2028 0.1645 0.083 Uiso 0.4693(15) 1 calc PR B 2 C61' C 0.3474(4) -0.1665(3) 0.1352(2) 0.0704(14) Uani 0.4693(15) 1 d P B 2 H61A H 0.3723 -0.1354 0.1694 0.084 Uiso 0.4693(15) 1 calc PR B 2 C62' C 0.2357(4) -0.1700(2) 0.08800(19) 0.0485(9) Uani 0.4693(15) 1 d P B 2 C63' C 0.1312(4) -0.1362(2) 0.07430(19) 0.0517(9) Uani 0.4693(15) 1 d P B 2 C64' C 0.1274(6) -0.0842(3) 0.1184(3) 0.0940(15) Uani 0.4693(15) 1 d P B 2 H64A H 0.1905 -0.0691 0.1576 0.113 Uiso 0.4693(15) 1 calc PR B 2 C65' C 0.0168(6) -0.0615(4) 0.0929(3) 0.1133(16) Uani 0.4693(15) 1 d P B 2 H65A H 0.0058 -0.0271 0.1156 0.136 Uiso 0.4693(15) 1 calc PR B 2 C66' C -0.0810(5) -0.0864(4) 0.0350(3) 0.1040(12) Uani 0.4693(15) 1 d P B 2 H66A H -0.1525 -0.0687 0.0214 0.125 Uiso 0.4693(15) 1 calc PR B 2 C67' C -0.0703(5) -0.1359(3) -0.0006(3) 0.0812(9) Uani 0.4693(15) 1 d P B 2 H67A H -0.1353 -0.1504 -0.0392 0.097 Uiso 0.4693(15) 1 calc PR B 2 C68' C 0.0339(4) -0.1660(3) 0.01796(17) 0.0509(7) Uani 0.4693(15) 1 d PD B 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Eu1 0.03771(4) 0.03983(5) 0.03297(3) 0.00099(4) 0.01459(3) 0.00055(4) O1 0.1093(9) 0.0497(9) 0.0451(5) -0.0089(6) 0.0389(6) -0.0196(8) O2 0.0635(6) 0.0445(7) 0.0329(4) -0.0017(5) 0.0213(4) -0.0010(6) O3 0.0461(6) 0.0461(8) 0.0594(6) 0.0060(6) 0.0241(5) 0.0037(6) O4 0.0453(5) 0.0473(8) 0.0679(6) 0.0131(6) 0.0307(5) 0.0072(6) O5 0.0523(6) 0.0504(8) 0.0621(6) -0.0079(6) 0.0327(5) -0.0069(6) O6 0.0480(5) 0.0490(8) 0.0556(5) 0.0026(5) 0.0290(5) 0.0018(6) N1 0.0444(6) 0.0425(9) 0.0375(6) 0.0019(6) 0.0201(5) -0.0040(7) N2 0.0367(6) 0.0464(9) 0.0345(5) 0.0038(6) 0.0163(5) 0.0006(6) C1 0.1027(13) 0.0493(14) 0.0929(11) -0.0075(10) 0.0634(10) -0.0082(12) C2 0.1425(18) 0.0470(15) 0.1560(19) -0.0108(13) 0.1013(15) -0.0091(14) C3 0.1194(14) 0.0669(16) 0.1592(17) -0.0530(13) 0.1009(12) -0.0266(13) C4 0.1032(14) 0.0887(18) 0.0973(12) -0.0515(12) 0.0615(11) -0.0246(14) C5 0.0935(13) 0.0659(15) 0.0724(10) -0.0230(10) 0.0468(9) -0.0103(12) C6 0.0581(9) 0.0471(12) 0.0596(8) -0.0123(8) 0.0346(7) -0.0080(9) C7 0.0511(8) 0.0487(12) 0.0471(8) -0.0082(8) 0.0231(7) -0.0040(9) C8 0.0752(10) 0.0485(12) 0.0429(7) -0.0060(8) 0.0356(7) -0.0072(9) C9 0.0408(7) 0.0458(11) 0.0394(7) -0.0019(7) 0.0187(6) -0.0009(8) C10 0.0452(8) 0.0485(11) 0.0363(7) -0.0016(7) 0.0173(6) -0.0062(8) C11 0.0522(9) 0.0486(12) 0.0473(8) 0.0009(8) 0.0232(7) -0.0052(9) C12 0.0644(11) 0.0522(13) 0.0628(10) 0.0052(9) 0.0264(9) -0.0039(10) C13 0.0701(12) 0.0605(14) 0.0605(10) 0.0155(10) 0.0224(9) -0.0168(11) C14 0.0816(11) 0.0827(17) 0.0482(8) 0.0025(10) 0.0338(8) -0.0232(12) C15 0.0738(10) 0.0632(14) 0.0476(8) -0.0060(9) 0.0345(7) -0.0119(11) C16 0.0550(10) 0.0498(13) 0.0680(11) -0.0010(9) 0.0235(9) -0.0002(10) C17 0.0708(11) 0.0635(15) 0.0783(11) -0.0092(11) 0.0354(10) -0.0195(12) C18 0.0989(13) 0.0433(12) 0.0587(9) -0.0041(9) 0.0396(9) -0.0096(11) C19 0.0794(11) 0.0463(13) 0.0724(10) 0.0024(9) 0.0407(9) 0.0093(11) C20 0.0598(9) 0.0461(12) 0.0579(9) -0.0026(8) 0.0329(7) -0.0003(9) C21 0.0488(8) 0.0434(11) 0.0342(6) 0.0017(7) 0.0195(6) -0.0002(9) C22 0.0479(8) 0.0433(11) 0.0350(7) 0.0012(7) 0.0179(6) 0.0030(8) C23 0.0460(9) 0.0418(11) 0.0604(9) 0.0018(9) 0.0185(8) 0.0054(9) C24 0.0444(8) 0.0446(11) 0.0566(8) -0.0033(8) 0.0274(7) 0.0029(8) C25 0.0435(8) 0.0398(11) 0.0697(9) -0.0037(9) 0.0281(7) 0.0035(9) C26 0.0543(11) 0.0519(14) 0.0847(12) -0.0024(11) 0.0200(10) 0.0023(11) C27 0.0459(11) 0.0759(17) 0.1074(17) -0.0064(15) 0.0099(12) 0.0024(13) C28 0.0503(11) 0.0728(17) 0.1313(18) -0.0269(14) 0.0366(12) -0.0125(12) C29 0.0660(10) 0.0616(15) 0.1189(14) -0.0097(12) 0.0549(10) -0.0083(12) C30 0.0536(9) 0.0582(14) 0.0837(11) -0.0013(10) 0.0359(9) 0.0005(10) C36 0.0921(11) 0.0555(13) 0.0654(8) -0.0006(9) 0.0545(8) -0.0110(11) C35' 0.1333(13) 0.0855(19) 0.1060(15) -0.0165(13) 0.1023(11) -0.0311(14) C34' 0.1707(18) 0.098(3) 0.145(2) -0.0058(19) 0.1319(14) -0.032(2) C33' 0.164(2) 0.116(3) 0.133(2) 0.003(2) 0.1137(16) -0.049(2) C32' 0.141(3) 0.072(2) 0.118(2) 0.0153(19) 0.074(2) -0.017(2) C31' 0.1105(19) 0.0679(19) 0.0961(17) 0.0076(15) 0.0610(14) -0.0166(17) C35 0.1333(13) 0.0855(19) 0.1060(15) -0.0165(13) 0.1023(11) -0.0311(14) C34 0.1707(18) 0.098(3) 0.145(2) -0.0058(19) 0.1319(14) -0.032(2) C33 0.164(2) 0.116(3) 0.133(2) 0.003(2) 0.1137(16) -0.049(2) C32 0.141(3) 0.072(2) 0.118(2) 0.0153(19) 0.074(2) -0.017(2) C31 0.1105(19) 0.0679(19) 0.0961(17) 0.0076(15) 0.0610(14) -0.0166(17) C37 0.0468(8) 0.0534(12) 0.0346(7) 0.0019(8) 0.0162(6) -0.0024(9) C38 0.0565(8) 0.0618(13) 0.0429(7) -0.0040(8) 0.0299(6) -0.0026(10) C39 0.0389(8) 0.0564(12) 0.0364(7) 0.0005(8) 0.0145(6) 0.0028(9) C40 0.0581(9) 0.0518(13) 0.0564(9) -0.0044(9) 0.0287(8) 0.0032(10) C41' 0.0967(12) 0.0801(18) 0.1118(13) -0.0328(13) 0.0736(10) -0.0155(14) C42' 0.1009(16) 0.102(2) 0.1177(17) -0.0428(15) 0.0710(13) 0.0002(17) C43' 0.119(2) 0.0608(18) 0.113(2) -0.0134(15) 0.0635(16) 0.0147(18) C44' 0.110(2) 0.0523(19) 0.177(3) -0.0116(18) 0.084(2) -0.0020(18) C45' 0.0695(16) 0.0532(17) 0.139(2) -0.0143(14) 0.0646(14) -0.0040(14) C41 0.0967(12) 0.0801(18) 0.1118(13) -0.0328(13) 0.0736(10) -0.0155(14) C42 0.1009(16) 0.102(2) 0.1177(17) -0.0428(15) 0.0710(13) 0.0002(17) C43 0.119(2) 0.0608(18) 0.113(2) -0.0134(15) 0.0635(16) 0.0147(18) C44 0.110(2) 0.0523(19) 0.177(3) -0.0116(18) 0.084(2) -0.0020(18) C45 0.0695(16) 0.0532(17) 0.139(2) -0.0143(14) 0.0646(14) -0.0040(14) C46 0.0537(8) 0.0486(12) 0.0495(8) 0.0009(8) 0.0271(7) -0.0080(9) C47 0.0726(10) 0.0558(12) 0.0437(7) 0.0055(8) 0.0327(7) -0.0086(10) C48 0.0696(10) 0.0610(13) 0.0336(7) -0.0038(8) 0.0265(7) -0.0099(10) C49 0.0506(8) 0.0466(11) 0.0366(7) -0.0039(7) 0.0229(6) -0.0072(8) C50 0.0390(7) 0.0411(10) 0.0382(7) 0.0001(7) 0.0203(6) -0.0013(8) C51 0.0351(7) 0.0411(10) 0.0380(7) -0.0001(7) 0.0177(6) 0.0005(8) C52 0.0435(8) 0.0434(11) 0.0400(7) -0.0034(7) 0.0195(6) -0.0066(8) C53 0.0582(10) 0.0481(12) 0.0544(9) -0.0011(8) 0.0232(8) -0.0146(9) C54 0.0669(10) 0.0567(13) 0.0559(9) 0.0096(9) 0.0290(8) -0.0144(10) C55 0.0486(8) 0.0554(12) 0.0404(7) 0.0111(8) 0.0196(7) -0.0010(9) C56 0.0572(9) 0.0514(12) 0.0378(7) -0.0068(8) 0.0217(7) -0.0128(9) C57 0.0661(11) 0.0325(15) 0.0204(8) -0.0179(9) 0.0176(8) -0.0219(11) C58 0.0569(11) 0.0605(19) 0.0306(11) -0.0089(12) 0.0197(10) -0.0077(13) C59 0.0581(13) 0.076(2) 0.0431(15) 0.0017(15) 0.0116(12) -0.0052(16) C60 0.0554(17) 0.067(3) 0.0511(13) 0.0108(15) 0.0058(13) -0.0062(18) C61 0.065(2) 0.075(2) 0.0411(11) 0.0031(13) 0.0088(13) -0.0197(19) C62 0.0741(15) 0.0240(17) 0.0377(8) -0.0013(10) 0.0238(10) -0.0052(14) C63 0.0642(19) 0.0372(15) 0.0334(10) 0.0020(9) 0.0130(11) -0.0080(14) C64 0.164(3) 0.0582(19) 0.1034(14) -0.0386(14) 0.1003(17) -0.032(2) C65 0.152(3) 0.081(2) 0.142(2) -0.0468(17) 0.103(2) -0.020(3) C66 0.110(2) 0.093(2) 0.123(2) -0.0345(19) 0.0728(18) -0.012(2) C67 0.0912(17) 0.0699(19) 0.0967(17) -0.0127(13) 0.0601(13) -0.0024(16) C68 0.0536(14) 0.0533(13) 0.0323(10) -0.0114(10) 0.0143(9) -0.0227(13) C57' 0.0661(11) 0.0325(15) 0.0204(8) -0.0179(9) 0.0176(8) -0.0219(11) C58' 0.0569(11) 0.0605(19) 0.0306(11) -0.0089(12) 0.0197(10) -0.0077(13) C59' 0.0581(13) 0.076(2) 0.0431(15) 0.0017(15) 0.0116(12) -0.0052(16) C60' 0.0554(17) 0.067(3) 0.0511(13) 0.0108(15) 0.0058(13) -0.0062(18) C61' 0.065(2) 0.075(2) 0.0411(11) 0.0031(13) 0.0088(13) -0.0197(19) C62' 0.0741(15) 0.0240(17) 0.0377(8) -0.0013(10) 0.0238(10) -0.0052(14) C63' 0.0642(19) 0.0372(15) 0.0334(10) 0.0020(9) 0.0130(11) -0.0080(14) C64' 0.164(3) 0.0582(19) 0.1034(14) -0.0386(14) 0.1003(17) -0.032(2) C65' 0.152(3) 0.081(2) 0.142(2) -0.0468(17) 0.103(2) -0.020(3) C66' 0.110(2) 0.093(2) 0.123(2) -0.0345(19) 0.0728(18) -0.012(2) C67' 0.0912(17) 0.0699(19) 0.0967(17) -0.0127(13) 0.0601(13) -0.0024(16) C68' 0.0536(14) 0.0533(13) 0.0323(10) -0.0114(10) 0.0143(9) -0.0227(13) _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 2.2952(11) . ? Eu1 O2 2.3672(11) . ? Eu1 O3 2.4164(12) . ? Eu1 O4 2.3116(12) . ? Eu1 O5 2.3395(13) . ? Eu1 O6 2.3684(13) . ? Eu1 N1 2.6420(12) . ? Eu1 N2 2.6944(14) . ? O1 C7 1.262(2) . ? O2 C9 1.2658(19) . ? O3 C22 1.254(2) . ? O4 C24 1.2681(19) . ? O5 C37 1.261(2) . ? O6 C39 1.265(2) . ? N1 C46 1.337(2) . ? N1 C50 1.331(2) . ? N2 C51 1.3417(18) . ? N2 C55 1.336(2) . ? C1 H1 0.9300 . ? C1 C2 1.379(3) . ? C1 C6 1.361(3) . ? C2 H2 0.9300 . ? C2 C3 1.362(4) . ? C3 H3 0.9300 . ? C3 C4 1.341(4) . ? C4 H4 0.9300 . ? C4 C5 1.372(3) . ? C5 H5 0.9300 . ? C5 C6 1.385(3) . ? C6 C7 1.491(3) . ? C7 C8 1.392(3) . ? C8 H8 0.9300 . ? C8 C9 1.392(2) . ? C9 C10 1.497(3) . ? C10 C11 1.379(3) . ? C10 C15 1.389(3) . ? C11 H11 0.9300 . ? C11 C12 1.385(3) . ? C12 H12 0.9300 . ? C12 C13 1.373(3) . ? C13 H13 0.9300 . ? C13 C14 1.361(3) . ? C14 H14 0.9300 . ? C14 C15 1.382(3) . ? C15 H15 0.9300 . ? C16 H16 0.9300 . ? C16 C17 1.383(3) . ? C16 C21 1.382(3) . ? C17 H17 0.9300 . ? C17 C18 1.377(3) . ? C18 H18 0.9300 . ? C18 C19 1.361(3) . ? C19 H19 0.9300 . ? C19 C20 1.375(3) . ? C20 H20 0.9300 . ? C20 C21 1.385(3) . ? C21 C22 1.505(3) . ? C22 C23 1.407(2) . ? C23 H23 0.9300 . ? C23 C24 1.395(3) . ? C24 C25 1.495(2) . ? C25 C26 1.384(2) . ? C25 C30 1.387(3) . ? C26 H26 0.9300 . ? C26 C27 1.391(3) . ? C27 H27 0.9300 . ? C27 C28 1.372(4) . ? C28 H28 0.9300 . ? C28 C29 1.372(3) . ? C29 H29 0.9300 . ? C29 C30 1.382(3) . ? C30 H30 0.9300 . ? C36 C35' 1.384(5) . ? C36 C31' 1.408(6) . ? C36 C35 1.391(5) . ? C36 C31 1.377(6) . ? C36 C37 1.490(3) . ? C35' H35 0.9300 . ? C35' C34' 1.382(7) . ? C34' H34 0.9300 . ? C34' C33' 1.351(7) . ? C33' H33 0.9300 . ? C33' C32' 1.380(8) . ? C32' H32 0.9300 . ? C32' C31' 1.364(8) . ? C31' H31 0.9300 . ? C35 H35A 0.9300 . ? C35 C34 1.391(7) . ? C34 H34A 0.9300 . ? C34 C33 1.340(7) . ? C33 H33A 0.9300 . ? C33 C32 1.370(7) . ? C32 H32A 0.9300 . ? C32 C31 1.417(8) . ? C31 H31A 0.9300 . ? C37 C38 1.400(3) . ? C38 H38 0.9300 . ? C38 C39 1.389(3) . ? C39 C40 1.492(3) . ? C40 C41' 1.376(8) . ? C40 C45' 1.269(9) . ? C40 C41 1.373(5) . ? C40 C45 1.431(4) . ? C41' H41 0.9300 . ? C41' C42' 1.382(9) . ? C42' H42 0.9300 . ? C42' C43' 1.346(9) . ? C43' H43 0.9300 . ? C43' C44' 1.365(10) . ? C44' H44 0.9300 . ? C44' C45' 1.409(11) . ? C45' H45 0.9300 . ? C41 H41A 0.9300 . ? C41 C42 1.390(5) . ? C42 H42A 0.9300 . ? C42 C43 1.326(6) . ? C43 H43A 0.9300 . ? C43 C44 1.368(6) . ? C44 H44A 0.9300 . ? C44 C45 1.376(5) . ? C45 H45A 0.9300 . ? C46 H46 0.9300 . ? C46 C47 1.374(2) . ? C47 H47 0.9300 . ? C47 C48 1.388(3) . ? C48 H48 0.9300 . ? C48 C49 1.370(3) . ? C49 C50 1.3931(19) . ? C49 C56 1.525(3) . ? C50 C51 1.459(2) . ? C51 C52 1.379(2) . ? C52 C53 1.367(3) . ? C52 C56 1.539(2) . ? C53 H53 0.9300 . ? C53 C54 1.381(3) . ? C54 H54 0.9300 . ? C54 C55 1.382(2) . ? C55 H55 0.9300 . ? C56 C57 1.537(4) . ? C56 C68 1.535(4) . ? C56 C57' 1.532(4) . ? C56 C68' 1.546(5) . ? C57 C58 1.404(6) . ? C57 C62 1.433(4) . ? C58 H58 0.9300 . ? C58 C59 1.370(5) . ? C59 H59 0.9300 . ? C59 C60 1.419(5) . ? C60 H60 0.9300 . ? C60 C61 1.371(7) . ? C61 H61 0.9300 . ? C61 C62 1.447(5) . ? C62 C63 1.454(6) . ? C63 C64 1.311(6) . ? C63 C68 1.389(4) . ? C64 H64 0.9300 . ? C64 C65 1.346(8) . ? C65 H65 0.9300 . ? C65 C66 1.375(7) . ? C66 H66 0.9300 . ? C66 C67 1.433(8) . ? C67 H67 0.9300 . ? C67 C68 1.351(6) . ? C57' C58' 1.322(7) . ? C57' C62' 1.339(6) . ? C58' H58A 0.9300 . ? C58' C59' 1.423(6) . ? C59' H59A 0.9300 . ? C59' C60' 1.355(7) . ? C60' H60A 0.9300 . ? C60' C61' 1.366(8) . ? C61' H61A 0.9300 . ? C61' C62' 1.349(6) . ? C62' C63' 1.461(7) . ? C63' C64' 1.493(8) . ? C63' C68' 1.431(5) . ? C64' H64A 0.9300 . ? C64' C65' 1.385(10) . ? C65' H65A 0.9300 . ? C65' C66' 1.416(8) . ? C66' H66A 0.9300 . ? C66' C67' 1.351(9) . ? C67' H67A 0.9300 . ? C67' C68' 1.395(8) . ? 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 O2 71.04(4) . . ? O1 Eu1 O3 72.39(4) . . ? O1 Eu1 O4 95.08(5) . . ? O1 Eu1 O5 85.00(5) . . ? O1 Eu1 O6 124.31(4) . . ? O1 Eu1 N1 146.76(4) . . ? O1 Eu1 N2 139.95(5) . . ? O1 C7 C6 114.90(17) . . ? O1 C7 C8 122.72(17) . . ? O2 Eu1 O3 138.35(4) . . ? O2 Eu1 O6 81.63(4) . . ? O2 Eu1 N1 141.17(4) . . ? O2 Eu1 N2 73.75(4) . . ? O2 C9 C8 124.25(17) . . ? O2 C9 C10 116.38(15) . . ? O3 Eu1 N1 74.70(4) . . ? O3 Eu1 N2 128.75(3) . . ? O3 C22 C21 116.43(15) . . ? O3 C22 C23 123.08(17) . . ? O4 Eu1 O2 93.45(4) . . ? O4 Eu1 O3 70.63(4) . . ? O4 Eu1 O5 141.54(4) . . ? O4 Eu1 O6 135.04(4) . . ? O4 Eu1 N1 78.20(4) . . ? O4 Eu1 N2 68.49(4) . . ? O4 C24 C23 123.97(15) . . ? O4 C24 C25 115.52(17) . . ? O5 Eu1 O2 122.33(4) . . ? O5 Eu1 O3 72.85(4) . . ? O5 Eu1 O6 69.97(4) . . ? O5 Eu1 N1 81.02(4) . . ? O5 Eu1 N2 130.86(4) . . ? O5 C37 C36 115.88(18) . . ? O5 C37 C38 124.06(19) . . ? O6 Eu1 O3 136.78(4) . . ? O6 Eu1 N1 78.45(4) . . ? O6 Eu1 N2 67.25(4) . . ? O6 C39 C38 123.19(18) . . ? O6 C39 C40 115.93(18) . . ? N1 Eu1 N2 67.88(4) . . ? N1 C46 H46 118.2 . . ? N1 C46 C47 123.55(17) . . ? N1 C50 C49 125.89(16) . . ? N1 C50 C51 125.48(13) . . ? N2 C51 C50 123.87(14) . . ? N2 C51 C52 126.37(16) . . ? N2 C55 C54 123.96(15) . . ? N2 C55 H55 118.0 . . ? C1 C2 H2 119.6 . . ? C1 C6 C5 117.95(19) . . ? C1 C6 C7 118.23(17) . . ? C2 C1 H1 119.8 . . ? C2 C3 H3 120.4 . . ? C3 C2 C1 120.8(2) . . ? C3 C2 H2 119.6 . . ? C3 C4 H4 119.6 . . ? C3 C4 C5 120.9(2) . . ? C4 C3 C2 119.2(2) . . ? C4 C3 H3 120.4 . . ? C4 C5 H5 119.6 . . ? C4 C5 C6 120.7(2) . . ? C5 C4 H4 119.6 . . ? C5 C6 C7 123.79(18) . . ? C6 C1 H1 119.8 . . ? C6 C1 C2 120.5(2) . . ? C6 C5 H5 119.6 . . ? C7 O1 Eu1 138.43(13) . . ? C7 C8 H8 117.9 . . ? C8 C7 C6 122.37(17) . . ? C8 C9 C10 119.36(15) . . ? C9 O2 Eu1 135.78(11) . . ? C9 C8 C7 124.12(17) . . ? C9 C8 H8 117.9 . . ? C10 C11 H11 119.4 . . ? C10 C11 C12 121.13(19) . . ? C10 C15 H15 119.9 . . ? C11 C10 C9 118.49(17) . . ? C11 C10 C15 118.37(18) . . ? C11 C12 H12 120.2 . . ? C12 C11 H11 119.4 . . ? C12 C13 H13 120.0 . . ? C13 C12 C11 119.5(2) . . ? C13 C12 H12 120.2 . . ? C13 C14 H14 119.6 . . ? C13 C14 C15 120.7(2) . . ? C14 C13 C12 120.1(2) . . ? C14 C13 H13 120.0 . . ? C14 C15 C10 120.2(2) . . ? C14 C15 H15 119.9 . . ? C15 C10 C9 123.13(18) . . ? C15 C14 H14 119.6 . . ? C16 C17 H17 120.2 . . ? C16 C21 C20 117.64(18) . . ? C16 C21 C22 118.57(17) . . ? C17 C16 H16 119.4 . . ? C17 C18 H18 120.0 . . ? C18 C17 C16 119.6(2) . . ? C18 C17 H17 120.2 . . ? C18 C19 H19 119.8 . . ? C18 C19 C20 120.3(2) . . ? C19 C18 C17 120.0(2) . . ? C19 C18 H18 120.0 . . ? C19 C20 H20 119.4 . . ? C19 C20 C21 121.20(19) . . ? C20 C19 H19 119.8 . . ? C20 C21 C22 123.75(17) . . ? C21 C16 H16 119.4 . . ? C21 C16 C17 121.3(2) . . ? C21 C20 H20 119.4 . . ? C22 O3 Eu1 136.44(12) . . ? C22 C23 H23 118.5 . . ? C23 C22 C21 120.49(16) . . ? C23 C24 C25 120.50(15) . . ? C24 O4 Eu1 136.35(12) . . ? C24 C23 C22 122.98(16) . . ? C24 C23 H23 118.5 . . ? C25 C26 H26 120.1 . . ? C25 C26 C27 119.8(2) . . ? C25 C30 H30 119.5 . . ? C26 C25 C24 122.23(19) . . ? C26 C25 C30 118.80(17) . . ? C26 C27 H27 119.7 . . ? C27 C26 H26 120.1 . . ? C27 C28 H28 120.1 . . ? C28 C27 C26 120.7(2) . . ? C28 C27 H27 119.7 . . ? C28 C29 H29 120.0 . . ? C28 C29 C30 120.0(2) . . ? C29 C28 C27 119.8(2) . . ? C29 C28 H28 120.1 . . ? C29 C30 C25 120.90(18) . . ? C29 C30 H30 119.5 . . ? C30 C25 C24 118.90(15) . . ? C30 C29 H29 120.0 . . ? C36 C35' H35 121.4 . . ? C36 C31' H31 119.9 . . ? C36 C35 H35A 118.3 . . ? C36 C35 C34 123.5(5) . . ? C36 C31 C32 121.7(6) . . ? C36 C31 H31A 119.2 . . ? C35' C36 C31' 119.7(4) . . ? C35' C36 C35 16.4(3) . . ? C35' C36 C37 125.5(3) . . ? C35' C34' H34 119.0 . . ? C34' C35' C36 117.1(5) . . ? C34' C35' H35 121.4 . . ? C34' C33' H33 119.5 . . ? C34' C33' C32' 121.0(5) . . ? C33' C34' C35' 122.0(6) . . ? C33' C34' H34 119.0 . . ? C33' C32' H32 120.8 . . ? C32' C33' H33 119.5 . . ? C32' C31' C36 120.3(5) . . ? C32' C31' H31 119.9 . . ? C31' C36 C37 112.1(3) . . ? C31' C32' C33' 118.4(6) . . ? C31' C32' H32 120.8 . . ? C35 C36 C31' 128.1(4) . . ? C35 C36 C37 119.8(3) . . ? C35 C34 H34A 120.7 . . ? C34 C35 H35A 118.3 . . ? C34 C33 H33A 119.3 . . ? C34 C33 C32 121.4(5) . . ? C33 C34 C35 118.6(5) . . ? C33 C34 H34A 120.7 . . ? C33 C32 H32A 120.7 . . ? C33 C32 C31 118.7(5) . . ? C32 C33 H33A 119.3 . . ? C32 C31 H31A 119.2 . . ? C31 C36 C35' 112.0(4) . . ? C31 C36 C31' 21.3(3) . . ? C31 C36 C35 114.8(4) . . ? C31 C36 C37 122.4(3) . . ? C31 C32 H32A 120.7 . . ? C37 O5 Eu1 136.71(12) . . ? C37 C38 H38 118.2 . . ? C38 C37 C36 120.06(19) . . ? C38 C39 C40 120.88(18) . . ? C39 O6 Eu1 135.80(12) . . ? C39 C38 C37 123.66(19) . . ? C39 C38 H38 118.2 . . ? C40 C41' H41 119.0 . . ? C40 C41' C42' 122.0(7) . . ? C40 C45' C44' 125.4(9) . . ? C40 C45' H45 117.3 . . ? C40 C41 H41A 119.6 . . ? C40 C41 C42 120.7(4) . . ? C40 C45 H45A 120.0 . . ? C41' C40 C39 122.3(3) . . ? C41' C40 C45 120.1(4) . . ? C41' C42' H42 119.8 . . ? C42' C41' H41 119.0 . . ? C42' C43' H43 121.4 . . ? C42' C43' C44' 117.2(8) . . ? C43' C42' C41' 120.5(8) . . ? C43' C42' H42 119.8 . . ? C43' C44' H44 121.0 . . ? C43' C44' C45' 118.0(8) . . ? C44' C43' H43 121.4 . . ? C44' C45' H45 117.3 . . ? C45' C40 C39 119.9(5) . . ? C45' C40 C41' 114.8(5) . . ? C45' C40 C41 112.3(5) . . ? C45' C40 C45 24.3(3) . . ? C45' C44' H44 121.0 . . ? C41 C40 C39 125.6(2) . . ? C41 C40 C41' 4.0(4) . . ? C41 C40 C45 116.5(3) . . ? C41 C42 H42A 119.0 . . ? C42 C41 H41A 119.6 . . ? C42 C43 H43A 120.3 . . ? C42 C43 C44 119.4(4) . . ? C43 C42 C41 122.0(4) . . ? C43 C42 H42A 119.0 . . ? C43 C44 H44A 119.6 . . ? C43 C44 C45 120.8(4) . . ? C44 C43 H43A 120.3 . . ? C44 C45 C40 120.1(4) . . ? C44 C45 H45A 120.0 . . ? C45 C40 C39 117.3(2) . . ? C45 C44 H44A 119.6 . . ? C46 N1 Eu1 132.81(11) . . ? C46 C47 H47 120.0 . . ? C46 C47 C48 119.95(18) . . ? C47 C46 H46 118.2 . . ? C47 C48 H48 121.0 . . ? C48 C47 H47 120.0 . . ? C48 C49 C50 117.40(16) . . ? C48 C49 C56 132.18(14) . . ? C49 C48 C47 118.02(14) . . ? C49 C48 H48 121.0 . . ? C49 C50 C51 108.62(14) . . ? C49 C56 C52 101.37(12) . . ? C49 C56 C57 108.02(18) . . ? C49 C56 C68 118.4(2) . . ? C49 C56 C57' 117.9(2) . . ? C49 C56 C68' 110.4(2) . . ? C50 N1 Eu1 111.99(10) . . ? C50 N1 C46 115.17(13) . . ? C50 C49 C56 110.36(15) . . ? C51 N2 Eu1 110.78(11) . . ? C51 C52 C56 109.90(15) . . ? C52 C51 C50 109.75(13) . . ? C52 C53 H53 121.2 . . ? C52 C53 C54 117.54(17) . . ? C52 C56 C68' 107.2(2) . . ? C53 C52 C51 118.08(15) . . ? C53 C52 C56 132.02(15) . . ? C53 C54 H54 120.0 . . ? C53 C54 C55 120.03(19) . . ? C54 C53 H53 121.2 . . ? C54 C55 H55 118.0 . . ? C55 N2 Eu1 135.21(10) . . ? C55 N2 C51 114.00(14) . . ? C55 C54 H54 120.0 . . ? C57 C56 C52 110.16(19) . . ? C57 C56 C68' 118.4(2) . . ? C57 C58 H58 119.0 . . ? C57 C62 C61 123.5(4) . . ? C57 C62 C63 109.6(3) . . ? C58 C57 C56 135.3(2) . . ? C58 C57 C62 115.7(3) . . ? C58 C59 H59 119.6 . . ? C58 C59 C60 120.7(4) . . ? C59 C58 C57 122.1(3) . . ? C59 C58 H58 119.0 . . ? C59 C60 H60 119.1 . . ? C60 C59 H59 119.6 . . ? C60 C61 H61 122.0 . . ? C60 C61 C62 115.9(4) . . ? C61 C60 C59 121.8(4) . . ? C61 C60 H60 119.1 . . ? C61 C62 C63 126.8(3) . . ? C62 C57 C56 108.9(3) . . ? C62 C61 H61 122.0 . . ? C63 C64 H64 117.6 . . ? C63 C64 C65 124.8(4) . . ? C63 C68 C56 111.8(3) . . ? C64 C63 C62 137.8(4) . . ? C64 C63 C68 113.7(4) . . ? C64 C65 H65 119.3 . . ? C64 C65 C66 121.5(6) . . ? C65 C64 H64 117.6 . . ? C65 C66 H66 121.5 . . ? C65 C66 C67 116.9(5) . . ? C66 C65 H65 119.3 . . ? C66 C67 H67 122.0 . . ? C67 C66 H66 121.5 . . ? C67 C68 C56 121.5(3) . . ? C67 C68 C63 126.8(4) . . ? C68 C56 C52 117.46(19) . . ? C68 C56 C57 101.22(19) . . ? C68 C56 C68' 17.20(18) . . ? C68 C63 C62 108.4(3) . . ? C68 C67 C66 115.9(4) . . ? C68 C67 H67 122.0 . . ? C57' C56 C52 117.2(2) . . ? C57' C56 C57 16.0(2) . . ? C57' C56 C68 85.3(2) . . ? C57' C56 C68' 102.5(2) . . ? C57' C58' H58A 122.0 . . ? C57' C58' C59' 116.0(4) . . ? C57' C62' C61' 114.7(5) . . ? C57' C62' C63' 109.1(4) . . ? C58' C57' C56 119.1(3) . . ? C58' C57' C62' 129.2(4) . . ? C58' C59' H59A 122.1 . . ? C59' C58' H58A 122.0 . . ? C59' C60' H60A 118.0 . . ? C59' C60' C61' 124.0(5) . . ? C60' C59' C58' 115.9(5) . . ? C60' C59' H59A 122.1 . . ? C60' C61' H61A 120.0 . . ? C61' C60' H60A 118.0 . . ? C61' C62' C63' 136.2(5) . . ? C62' C57' C56 111.7(4) . . ? C62' C61' C60' 120.1(5) . . ? C62' C61' H61A 120.0 . . ? C62' C63' C64' 123.7(4) . . ? C63' C64' H64A 124.7 . . ? C63' C68' C56 106.2(4) . . ? C64' C65' H65A 117.3 . . ? C64' C65' C66' 125.4(7) . . ? C65' C64' C63' 110.6(5) . . ? C65' C64' H64A 124.7 . . ? C65' C66' H66A 120.0 . . ? C66' C65' H65A 117.3 . . ? C66' C67' H67A 118.6 . . ? C66' C67' C68' 122.9(5) . . ? C67' C66' C65' 120.0(6) . . ? C67' C66' H66A 120.0 . . ? C67' C68' C56 138.4(4) . . ? C67' C68' C63' 115.1(5) . . ? C68' C63' C62' 110.5(4) . . ? C68' C63' C64' 125.4(5) . . ? C68' C67' H67A 118.6 . . ? 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 Eu1 O1 C7 C6 159.56(13) . . . . ? Eu1 O1 C7 C8 -21.4(3) . . . . ? Eu1 O2 C9 C8 5.1(3) . . . . ? Eu1 O2 C9 C10 -175.95(11) . . . . ? Eu1 O3 C22 C21 -164.33(11) . . . . ? Eu1 O3 C22 C23 15.7(3) . . . . ? Eu1 O4 C24 C23 32.6(3) . . . . ? Eu1 O4 C24 C25 -148.65(14) . . . . ? Eu1 O5 C37 C36 -161.61(11) . . . . ? Eu1 O5 C37 C38 17.6(2) . . . . ? Eu1 O6 C39 C38 -23.2(2) . . . . ? Eu1 O6 C39 C40 156.26(10) . . . . ? Eu1 N1 C46 C47 177.99(14) . . . . ? Eu1 N1 C50 C49 -179.66(15) . . . . ? Eu1 N1 C50 C51 -0.7(2) . . . . ? Eu1 N2 C51 C50 0.9(2) . . . . ? Eu1 N2 C51 C52 179.52(15) . . . . ? Eu1 N2 C55 C54 -179.59(14) . . . . ? O1 Eu1 O2 C9 -13.43(15) . . . . ? O1 Eu1 O3 C22 101.76(16) . . . . ? O1 Eu1 O4 C24 -93.62(17) . . . . ? O1 Eu1 O5 C37 -153.69(15) . . . . ? O1 Eu1 O6 C39 96.09(13) . . . . ? O1 Eu1 N1 C46 -24.6(2) . . . . ? O1 Eu1 N1 C50 153.27(11) . . . . ? O1 Eu1 N2 C51 -157.68(10) . . . . ? O1 Eu1 N2 C55 23.6(2) . . . . ? O1 C7 C8 C9 0.7(3) . . . . ? O2 Eu1 O1 C7 22.36(18) . . . . ? O2 Eu1 O3 C22 72.20(16) . . . . ? O2 Eu1 O4 C24 -164.87(16) . . . . ? O2 Eu1 O5 C37 -89.88(15) . . . . ? O2 Eu1 O6 C39 156.23(13) . . . . ? O2 Eu1 N1 C46 173.59(15) . . . . ? O2 Eu1 N1 C50 -8.59(15) . . . . ? O2 Eu1 N2 C51 173.09(12) . . . . ? O2 Eu1 N2 C55 -5.65(16) . . . . ? O2 C9 C10 C11 -22.4(2) . . . . ? O2 C9 C10 C15 157.57(16) . . . . ? O3 Eu1 O1 C7 -137.4(2) . . . . ? O3 Eu1 O2 C9 16.37(18) . . . . ? O3 Eu1 O4 C24 -24.30(16) . . . . ? O3 Eu1 O5 C37 133.22(15) . . . . ? O3 Eu1 O6 C39 -4.94(15) . . . . ? O3 Eu1 N1 C46 -32.81(16) . . . . ? O3 Eu1 N1 C50 145.00(12) . . . . ? O3 Eu1 N2 C51 -47.08(13) . . . . ? O3 Eu1 N2 C55 134.18(16) . . . . ? O3 C22 C23 C24 -14.3(3) . . . . ? O4 Eu1 O1 C7 -69.55(19) . . . . ? O4 Eu1 O2 C9 80.76(16) . . . . ? O4 Eu1 O3 C22 -0.37(15) . . . . ? O4 Eu1 O5 C37 114.43(15) . . . . ? O4 Eu1 O6 C39 -117.28(13) . . . . ? O4 Eu1 N1 C46 -105.71(17) . . . . ? O4 Eu1 N1 C50 72.11(12) . . . . ? O4 Eu1 N2 C51 -86.41(11) . . . . ? O4 Eu1 N2 C55 94.85(17) . . . . ? O4 C24 C25 C26 155.4(2) . . . . ? O4 C24 C25 C30 -21.5(3) . . . . ? O5 Eu1 O1 C7 149.07(19) . . . . ? O5 Eu1 O2 C9 -84.38(16) . . . . ? O5 Eu1 O3 C22 -168.11(16) . . . . ? O5 Eu1 O4 C24 -5.3(2) . . . . ? O5 Eu1 O6 C39 27.25(12) . . . . ? O5 Eu1 N1 C46 41.74(16) . . . . ? O5 Eu1 N1 C50 -140.44(12) . . . . ? O5 Eu1 N2 C51 54.11(12) . . . . ? O5 Eu1 N2 C55 -124.63(16) . . . . ? O5 C37 C38 C39 2.6(2) . . . . ? O6 Eu1 O1 C7 87.5(2) . . . . ? O6 Eu1 O2 C9 -144.20(16) . . . . ? O6 Eu1 O3 C22 -136.52(14) . . . . ? O6 Eu1 O4 C24 113.52(16) . . . . ? O6 Eu1 O5 C37 -24.34(14) . . . . ? O6 Eu1 N1 C46 112.98(17) . . . . ? O6 Eu1 N1 C50 -69.20(12) . . . . ? O6 Eu1 N2 C51 85.50(11) . . . . ? O6 Eu1 N2 C55 -93.24(17) . . . . ? O6 C39 C40 C41' 166.2(3) . . . . ? O6 C39 C40 C45' 7.0(4) . . . . ? O6 C39 C40 C41 168.8(2) . . . . ? O6 C39 C40 C45 -20.6(3) . . . . ? N1 Eu1 O1 C7 -145.73(16) . . . . ? N1 Eu1 O2 C9 156.17(14) . . . . ? N1 Eu1 O3 C22 -82.98(15) . . . . ? N1 Eu1 O4 C24 53.44(16) . . . . ? N1 Eu1 O5 C37 56.56(14) . . . . ? N1 Eu1 O6 C39 -57.29(13) . . . . ? N1 Eu1 N2 C51 -0.83(11) . . . . ? N1 Eu1 N2 C55 -179.57(18) . . . . ? N1 C46 C47 C48 0.6(3) . . . . ? N1 C50 C51 N2 -0.2(3) . . . . ? N1 C50 C51 C52 -179.01(17) . . . . ? N2 Eu1 O1 C7 -7.4(2) . . . . ? N2 Eu1 O2 C9 147.17(16) . . . . ? N2 Eu1 O3 C22 -39.05(17) . . . . ? N2 Eu1 O4 C24 124.10(17) . . . . ? N2 Eu1 O5 C37 6.41(16) . . . . ? N2 Eu1 O6 C39 -127.95(13) . . . . ? N2 Eu1 N1 C46 -177.08(18) . . . . ? N2 Eu1 N1 C50 0.74(11) . . . . ? N2 C51 C52 C53 0.6(3) . . . . ? N2 C51 C52 C56 -179.03(16) . . . . ? C1 C2 C3 C4 0.8(4) . . . . ? C1 C6 C7 O1 -14.0(3) . . . . ? C1 C6 C7 C8 167.02(19) . . . . ? C2 C1 C6 C5 -1.0(3) . . . . ? C2 C1 C6 C7 177.0(2) . . . . ? C2 C3 C4 C5 -0.3(4) . . . . ? C3 C4 C5 C6 -0.8(4) . . . . ? C4 C5 C6 C1 1.5(3) . . . . ? C4 C5 C6 C7 -176.4(2) . . . . ? C5 C6 C7 O1 163.91(19) . . . . ? C5 C6 C7 C8 -15.1(3) . . . . ? C6 C1 C2 C3 -0.1(4) . . . . ? C6 C7 C8 C9 179.63(17) . . . . ? C7 C8 C9 O2 6.3(3) . . . . ? C7 C8 C9 C10 -172.60(17) . . . . ? C8 C9 C10 C11 156.62(17) . . . . ? C8 C9 C10 C15 -23.4(2) . . . . ? C9 C10 C11 C12 -179.04(15) . . . . ? C9 C10 C15 C14 179.73(16) . . . . ? C10 C11 C12 C13 -0.8(3) . . . . ? C11 C10 C15 C14 -0.3(2) . . . . ? C11 C12 C13 C14 -0.2(3) . . . . ? C12 C13 C14 C15 0.9(3) . . . . ? C13 C14 C15 C10 -0.6(3) . . . . ? C15 C10 C11 C12 1.0(2) . . . . ? C16 C17 C18 C19 0.9(3) . . . . ? C16 C21 C22 O3 -4.6(2) . . . . ? C16 C21 C22 C23 175.46(17) . . . . ? C17 C16 C21 C20 1.2(3) . . . . ? C17 C16 C21 C22 179.04(18) . . . . ? C17 C18 C19 C20 -0.2(3) . . . . ? C18 C19 C20 C21 -0.1(3) . . . . ? C19 C20 C21 C16 -0.4(3) . . . . ? C19 C20 C21 C22 -178.16(17) . . . . ? C20 C21 C22 O3 173.19(16) . . . . ? C20 C21 C22 C23 -6.8(3) . . . . ? C21 C16 C17 C18 -1.4(3) . . . . ? C21 C22 C23 C24 165.68(17) . . . . ? C22 C23 C24 O4 -8.1(3) . . . . ? C22 C23 C24 C25 173.24(18) . . . . ? C23 C24 C25 C26 -25.8(3) . . . . ? C23 C24 C25 C30 157.2(2) . . . . ? C24 C25 C26 C27 -178.1(2) . . . . ? C24 C25 C30 C29 178.3(2) . . . . ? C25 C26 C27 C28 0.8(4) . . . . ? C26 C25 C30 C29 1.2(3) . . . . ? C26 C27 C28 C29 -0.4(4) . . . . ? C27 C28 C29 C30 0.5(4) . . . . ? C28 C29 C30 C25 -0.9(4) . . . . ? C30 C25 C26 C27 -1.2(4) . . . . ? C36 C35' C34' C33' 3.6(7) . . . . ? C36 C35 C34 C33 -4.4(7) . . . . ? C36 C37 C38 C39 -178.22(14) . . . . ? C35' C36 C31' C32' 13.8(5) . . . . ? C35' C36 C35 C34 -71.6(12) . . . . ? C35' C36 C31 C32 4.0(5) . . . . ? C35' C36 C37 O5 -162.1(2) . . . . ? C35' C36 C37 C38 18.6(3) . . . . ? C35' C34' C33' C32' 4.6(8) . . . . ? C34' C33' C32' C31' -3.5(7) . . . . ? C33' C32' C31' C36 -5.6(6) . . . . ? C31' C36 C35' C34' -12.5(5) . . . . ? C31' C36 C35 C34 -7.4(6) . . . . ? C31' C36 C31 C32 119.6(14) . . . . ? C31' C36 C37 O5 36.6(3) . . . . ? C31' C36 C37 C38 -142.6(3) . . . . ? C35 C36 C35' C34' 112.8(14) . . . . ? C35 C36 C31' C32' -3.2(6) . . . . ? C35 C36 C31 C32 -13.7(5) . . . . ? C35 C36 C37 O5 -143.8(3) . . . . ? C35 C36 C37 C38 37.0(3) . . . . ? C35 C34 C33 C32 -2.7(8) . . . . ? C34 C33 C32 C31 1.2(7) . . . . ? C33 C32 C31 C36 7.6(7) . . . . ? C31 C36 C35' C34' 9.6(5) . . . . ? C31 C36 C31' C32' -60.3(12) . . . . ? C31 C36 C35 C34 12.3(6) . . . . ? C31 C36 C37 O5 15.6(3) . . . . ? C31 C36 C37 C38 -163.6(3) . . . . ? C37 C36 C35' C34' -172.5(3) . . . . ? C37 C36 C31' C32' 176.3(3) . . . . ? C37 C36 C35 C34 173.1(4) . . . . ? C37 C36 C31 C32 -174.0(3) . . . . ? C37 C38 C39 O6 0.3(2) . . . . ? C37 C38 C39 C40 -179.18(14) . . . . ? C38 C39 C40 C41' -14.3(4) . . . . ? C38 C39 C40 C45' -173.5(4) . . . . ? C38 C39 C40 C41 -11.7(3) . . . . ? C38 C39 C40 C45 158.9(2) . . . . ? C39 C40 C41' C42' -168.2(4) . . . . ? C39 C40 C45' C44' 175.8(5) . . . . ? C39 C40 C41 C42 176.8(3) . . . . ? C39 C40 C45 C44 -177.8(3) . . . . ? C40 C41' C42' C43' -5.3(9) . . . . ? C40 C41 C42 C43 -0.2(5) . . . . ? C41' C40 C45' C44' 15.1(9) . . . . ? C41' C40 C41 C42 -150(6) . . . . ? C41' C40 C45 C44 -4.5(5) . . . . ? C41' C42' C43' C44' 11.8(10) . . . . ? C42' C43' C44' C45' -5.5(10) . . . . ? C43' C44' C45' C40 -8.8(11) . . . . ? C45' C40 C41' C42' -8.0(7) . . . . ? C45' C40 C41 C42 -20.2(5) . . . . ? C45' C40 C45 C44 79.5(12) . . . . ? C41 C40 C41' C42' 44(5) . . . . ? C41 C40 C45' C44' 11.7(8) . . . . ? C41 C40 C45 C44 -6.3(5) . . . . ? C41 C42 C43 C44 -5.7(6) . . . . ? C42 C43 C44 C45 5.4(6) . . . . ? C43 C44 C45 C40 0.7(6) . . . . ? C45 C40 C41' C42' 18.8(7) . . . . ? C45 C40 C45' C44' -93.5(15) . . . . ? C45 C40 C41 C42 6.1(4) . . . . ? C46 N1 C50 C49 -1.4(3) . . . . ? C46 N1 C50 C51 177.57(17) . . . . ? C46 C47 C48 C49 -0.4(3) . . . . ? C47 C48 C49 C50 -0.7(3) . . . . ? C47 C48 C49 C56 -177.5(2) . . . . ? C48 C49 C50 N1 1.7(3) . . . . ? C48 C49 C50 C51 -177.45(17) . . . . ? C48 C49 C56 C52 176.8(2) . . . . ? C48 C49 C56 C57 61.0(3) . . . . ? C48 C49 C56 C68 -53.1(3) . . . . ? C48 C49 C56 C57' 47.4(4) . . . . ? C48 C49 C56 C68' -69.8(3) . . . . ? C49 C50 C51 N2 178.93(16) . . . . ? C49 C50 C51 C52 0.1(2) . . . . ? C49 C56 C57 C58 54.3(5) . . . . ? C49 C56 C57 C62 -126.8(3) . . . . ? C49 C56 C68 C63 120.2(3) . . . . ? C49 C56 C68 C67 -58.1(4) . . . . ? C49 C56 C57' C58' 54.7(5) . . . . ? C49 C56 C57' C62' -123.5(4) . . . . ? C49 C56 C68' C63' 129.1(3) . . . . ? C49 C56 C68' C67' -56.9(7) . . . . ? C50 N1 C46 C47 0.2(3) . . . . ? C50 C49 C56 C52 -0.2(2) . . . . ? C50 C49 C56 C57 -115.98(19) . . . . ? C50 C49 C56 C68 129.89(19) . . . . ? C50 C49 C56 C57' -129.6(2) . . . . ? C50 C49 C56 C68' 113.1(2) . . . . ? C50 C51 C52 C53 179.37(17) . . . . ? C50 C51 C52 C56 -0.3(2) . . . . ? C51 N2 C55 C54 1.7(3) . . . . ? C51 C52 C53 C54 0.1(3) . . . . ? C51 C52 C56 C49 0.28(19) . . . . ? C51 C52 C56 C57 114.5(2) . . . . ? C51 C52 C56 C68 -130.4(2) . . . . ? C51 C52 C56 C57' 130.1(2) . . . . ? C51 C52 C56 C68' -115.5(2) . . . . ? C52 C53 C54 C55 0.2(3) . . . . ? C52 C56 C57 C58 -55.6(5) . . . . ? C52 C56 C57 C62 123.4(3) . . . . ? C52 C56 C68 C63 -117.6(3) . . . . ? C52 C56 C68 C67 64.2(5) . . . . ? C52 C56 C57' C58' -66.9(5) . . . . ? C52 C56 C57' C62' 114.9(4) . . . . ? C52 C56 C68' C63' -121.4(3) . . . . ? C52 C56 C68' C67' 52.7(7) . . . . ? C53 C52 C56 C49 -179.3(2) . . . . ? C53 C52 C56 C57 -65.1(3) . . . . ? C53 C52 C56 C68 50.0(3) . . . . ? C53 C52 C56 C57' -49.4(3) . . . . ? C53 C52 C56 C68' 65.0(3) . . . . ? C53 C54 C55 N2 -1.2(3) . . . . ? C55 N2 C51 C50 179.95(16) . . . . ? C55 N2 C51 C52 -1.4(3) . . . . ? C56 C49 C50 N1 179.20(17) . . . . ? C56 C49 C50 C51 0.1(2) . . . . ? C56 C52 C53 C54 179.6(2) . . . . ? C56 C57 C58 C59 179.8(4) . . . . ? C56 C57 C62 C61 -176.3(4) . . . . ? C56 C57 C62 C63 0.5(4) . . . . ? C56 C57' C58' C59' -179.3(4) . . . . ? C56 C57' C62' C61' 177.9(4) . . . . ? C56 C57' C62' C63' 0.7(5) . . . . ? C57 C56 C68 C63 2.4(4) . . . . ? C57 C56 C68 C67 -175.8(4) . . . . ? C57 C56 C57' C58' 0.2(7) . . . . ? C57 C56 C57' C62' -178.0(12) . . . . ? C57 C56 C68' C63' 3.9(5) . . . . ? C57 C56 C68' C67' 177.9(6) . . . . ? C57 C58 C59 C60 -1.3(7) . . . . ? C57 C62 C63 C64 -175.4(5) . . . . ? C57 C62 C63 C68 1.1(5) . . . . ? C58 C57 C62 C61 2.9(6) . . . . ? C58 C57 C62 C63 179.6(3) . . . . ? C58 C59 C60 C61 -2.3(7) . . . . ? C59 C60 C61 C62 5.7(7) . . . . ? C60 C61 C62 C57 -6.1(7) . . . . ? C60 C61 C62 C63 177.7(4) . . . . ? C61 C62 C63 C64 1.3(9) . . . . ? C61 C62 C63 C68 177.7(4) . . . . ? C62 C57 C58 C59 1.0(6) . . . . ? C62 C63 C64 C65 -176.5(6) . . . . ? C62 C63 C68 C56 -2.2(4) . . . . ? C62 C63 C68 C67 175.9(4) . . . . ? C63 C64 C65 C66 -5.4(10) . . . . ? C64 C63 C68 C56 175.2(4) . . . . ? C64 C63 C68 C67 -6.7(7) . . . . ? C64 C65 C66 C67 2.1(10) . . . . ? C65 C66 C67 C68 -1.5(8) . . . . ? C66 C67 C68 C56 -178.0(4) . . . . ? C66 C67 C68 C63 4.1(8) . . . . ? C68 C56 C57 C58 179.4(4) . . . . ? C68 C56 C57 C62 -1.7(3) . . . . ? C68 C56 C57' C58' 174.5(5) . . . . ? C68 C56 C57' C62' -3.6(4) . . . . ? C68 C56 C68' C63' 8.0(8) . . . . ? C68 C56 C68' C67' -178.0(15) . . . . ? C68 C63 C64 C65 7.2(8) . . . . ? C57' C56 C57 C58 -174.8(13) . . . . ? C57' C56 C57 C62 4.1(8) . . . . ? C57' C56 C68 C63 0.8(3) . . . . ? C57' C56 C68 C67 -177.4(4) . . . . ? C57' C56 C68' C63' 2.6(4) . . . . ? C57' C56 C68' C67' 176.6(7) . . . . ? C57' C58' C59' C60' 0.4(8) . . . . ? C57' C62' C63' C64' 174.0(5) . . . . ? C57' C62' C63' C68' 1.2(6) . . . . ? C58' C57' C62' C61' 0.0(8) . . . . ? C58' C57' C62' C63' -177.3(5) . . . . ? C58' C59' C60' C61' 2.0(9) . . . . ? C59' C60' C61' C62' -3.7(10) . . . . ? C60' C61' C62' C57' 2.5(8) . . . . ? C60' C61' C62' C63' 178.8(6) . . . . ? C61' C62' C63' C64' -2.4(10) . . . . ? C61' C62' C63' C68' -175.3(6) . . . . ? C62' C57' C58' C59' -1.5(8) . . . . ? C62' C63' C64' C65' -179.6(6) . . . . ? C62' C63' C68' C56 -2.4(5) . . . . ? C62' C63' C68' C67' -178.0(5) . . . . ? C63' C64' C65' C66' 3.3(11) . . . . ? C64' C63' C68' C56 -175.1(5) . . . . ? C64' C63' C68' C67' 9.2(8) . . . . ? C64' C65' C66' C67' -0.8(12) . . . . ? C65' C66' C67' C68' 2.0(11) . . . . ? C66' C67' C68' C56 -179.6(6) . . . . ? C66' C67' C68' C63' -5.9(9) . . . . ? C68' C56 C57 C58 -179.3(4) . . . . ? C68' C56 C57 C62 -0.4(4) . . . . ? C68' C56 C68 C63 -173.9(12) . . . . ? C68' C56 C68 C67 7.9(8) . . . . ? C68' C56 C57' C58' 176.1(4) . . . . ? C68' C56 C57' C62' -2.0(4) . . . . ? C68' C63' C64' C65' -7.8(9) . . . . ?