# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry # This journal is © The Royal Society of Chemistry 2012 data_global _journal_name_full J.Mater.Chem. _journal_coden_cambridge 1145 _journal_year ? _journal_volume ? _journal_page_first ? loop_ _publ_author_name 'Xingtang Rao' 'Yuanjing Cui' 'Chuan-De Wu' 'Banglin Chen' 'Guodong Qian' _publ_contact_author_name 'Banglin Chen' _publ_contact_author_email banglin.chen@utsa.edu data_New _database_code_depnum_ccdc_archive 'CCDC 842048' #TrackingRef '- ZJU-1.CIF' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C21 H19 La2 N3 O17' _chemical_formula_weight 863.21 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' La La -0.2871 2.4523 '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 10.4133(6) _cell_length_b 10.8990(5) _cell_length_c 13.0740(6) _cell_angle_alpha 77.607(4) _cell_angle_beta 77.442(4) _cell_angle_gamma 86.648(4) _cell_volume 1414.47(12) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 10571 _cell_measurement_theta_min 3.22 _cell_measurement_theta_max 26.37 _exptl_crystal_description bloc _exptl_crystal_colour colorless _exptl_crystal_size_max 0.34 _exptl_crystal_size_mid 0.24 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.027 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 832 _exptl_absorpt_coefficient_mu 3.063 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.418 _exptl_absorpt_correction_T_max 0.692 _exptl_absorpt_process_details CrysAlisPro _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 'Xcalibur, Atlas, Gemini ultra' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean 10.3592 _diffrn_standards_number none _diffrn_standards_interval_count none _diffrn_standards_interval_time none _diffrn_standards_decay_% ? _diffrn_reflns_number 10571 _diffrn_reflns_av_R_equivalents 0.0406 _diffrn_reflns_av_sigmaI/netI 0.0720 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 3.22 _diffrn_reflns_theta_max 26.37 _reflns_number_total 5774 _reflns_number_gt 4066 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CrysAlisPro (Oxford Diffraction Ltd., 2010)' _computing_cell_refinement 'CrysAlisPro (Oxford Diffraction Ltd., 2010)' _computing_data_reduction 'CrysAlisPro (Oxford Diffraction Ltd., 2010)' _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^)+(0.0401P)^2^+0.5886P] 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 5774 _refine_ls_number_parameters 407 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0764 _refine_ls_R_factor_gt 0.0454 _refine_ls_wR_factor_ref 0.1149 _refine_ls_wR_factor_gt 0.0975 _refine_ls_goodness_of_fit_ref 1.124 _refine_ls_restrained_S_all 1.124 _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 La1 La 0.05346(4) 0.02372(3) 0.15008(3) 0.03029(13) Uani 1 1 d . . . La2 La 0.08201(5) -0.30652(4) 0.47704(3) 0.03413(14) Uani 1 1 d . . . O1 O 0.1962(6) 0.1692(4) -0.0006(4) 0.0388(13) Uani 1 1 d . . . O2 O 0.3862(7) 0.2625(5) -0.0887(5) 0.0596(18) Uani 1 1 d . . . O3 O 0.1416(5) -0.1163(4) 0.3093(4) 0.0347(12) Uani 1 1 d . . . O4 O 0.3090(6) -0.2265(5) 0.3616(4) 0.0485(15) Uani 1 1 d . . . O5 O 0.2059(6) -0.1875(4) 0.5725(4) 0.0444(14) Uani 1 1 d . . . O6 O 0.4026(7) -0.1454(6) 0.5942(6) 0.075(2) Uani 1 1 d . . . O7 O 0.1159(6) -0.5493(4) 0.5039(4) 0.0424(14) Uani 1 1 d . . . O8 O 0.1522(7) -0.7273(5) 0.6096(4) 0.0537(17) Uani 1 1 d . . . O9 O -0.0992(5) 0.0803(4) 0.0153(4) 0.0329(12) Uani 1 1 d . . . O10 O -0.1895(6) 0.2118(5) -0.1034(4) 0.0445(14) Uani 1 1 d . . . O11 O 0.0854(6) 0.1895(4) 0.2571(4) 0.0420(14) Uani 1 1 d . . . O12 O 0.0290(6) 0.3608(4) 0.3259(4) 0.0430(14) Uani 1 1 d . . . O13 O -0.1364(6) 0.0116(5) 0.3081(4) 0.0535(15) Uani 1 1 d . . . H13A H -0.1601 0.0729 0.3354 0.064 Uiso 1 1 d . . . H13B H -0.1827 -0.0508 0.3279 0.064 Uiso 1 1 d . . . O14 O -0.1003(6) -0.1641(5) 0.1752(4) 0.0485(15) Uani 1 1 d . . . H14A H -0.1397 -0.1722 0.1296 0.058 Uiso 1 1 d . . . H14B H -0.1248 -0.2094 0.2348 0.058 Uiso 1 1 d . . . O15 O -0.0643(7) -0.1198(5) 0.5253(4) 0.0615(19) Uani 1 1 d . . . H15A H -0.1225 -0.1242 0.4935 0.074 Uiso 1 1 d . . . H15B H -0.0732 -0.1485 0.5893 0.074 Uiso 1 1 d . . . O16 O 0.1214(8) -0.3861(5) 0.3006(4) 0.063(2) Uani 1 1 d . . . H16A H 0.1512 -0.3412 0.2422 0.075 Uiso 1 1 d . . . H16B H 0.1063 -0.4539 0.2878 0.075 Uiso 1 1 d . . . O17 O 0.3335(12) 0.0886(10) 0.4882(13) 0.083(5) Uani 0.50 1 d P . . O18 O -0.426(3) 0.445(3) -0.115(2) 0.060(7) Uani 0.25 1 d P . . O19 O -0.477(3) 0.506(3) -0.063(3) 0.087(10) Uani 0.25 1 d P . . N1 N 0.3067(7) 0.0299(5) 0.1485(5) 0.0361(15) Uani 1 1 d . . . N2 N 0.2698(7) -0.4257(5) 0.5758(5) 0.0388(16) Uani 1 1 d . . . N3 N -0.0655(7) 0.2555(5) 0.1172(5) 0.0351(15) Uani 1 1 d . . . C1 C 0.3175(9) 0.1895(7) -0.0119(6) 0.0405(19) Uani 1 1 d . . . C2 C 0.3853(9) 0.1125(7) 0.0747(6) 0.0399(19) Uani 1 1 d . . . C3 C 0.5158(9) 0.1275(8) 0.0750(8) 0.057(2) Uani 1 1 d . . . H3A H 0.5680 0.1854 0.0218 0.068 Uiso 1 1 calc R . . C4 C 0.5658(10) 0.0531(9) 0.1574(8) 0.068(3) Uani 1 1 d . . . H4A H 0.6529 0.0615 0.1614 0.082 Uiso 1 1 calc R . . C5 C 0.4874(10) -0.0328(8) 0.2331(7) 0.055(2) Uani 1 1 d . . . H5A H 0.5205 -0.0835 0.2885 0.066 Uiso 1 1 calc R . . C6 C 0.3594(8) -0.0432(7) 0.2263(6) 0.0362(18) Uani 1 1 d . . . C7 C 0.2639(9) -0.1350(7) 0.3055(6) 0.0384(19) Uani 1 1 d . . . C8 C 0.3197(10) -0.2192(8) 0.5877(7) 0.052(2) Uani 1 1 d . . . C9 C 0.3548(9) -0.3581(7) 0.6032(6) 0.043(2) Uani 1 1 d . . . C10 C 0.4585(11) -0.4123(9) 0.6455(8) 0.061(3) Uani 1 1 d . . . H10A H 0.5171 -0.3625 0.6624 0.074 Uiso 1 1 calc R . . C11 C 0.4761(11) -0.5392(9) 0.6629(8) 0.064(3) Uani 1 1 d . . . H11A H 0.5479 -0.5767 0.6895 0.076 Uiso 1 1 calc R . . C12 C 0.3863(10) -0.6106(8) 0.6406(7) 0.057(3) Uani 1 1 d . . . H12A H 0.3930 -0.6978 0.6554 0.068 Uiso 1 1 calc R . . C13 C 0.2854(8) -0.5502(7) 0.5955(6) 0.0385(18) Uani 1 1 d . . . C14 C 0.1794(9) -0.6166(6) 0.5685(6) 0.040(2) Uani 1 1 d . . . C15 C -0.1435(8) 0.1897(6) -0.0224(6) 0.0338(17) Uani 1 1 d . . . C16 C -0.1332(9) 0.2882(7) 0.0395(6) 0.042(3) Uani 1.00(3) 1 d . . . C17 C -0.1882(9) 0.4073(7) 0.0168(7) 0.051(2) Uani 1 1 d . . . H17A H -0.2334 0.4292 -0.0386 0.061 Uiso 1 1 calc R . . C18 C -0.1749(11) 0.4936(7) 0.0781(8) 0.063(3) Uani 1 1 d . . . H18A H -0.2133 0.5732 0.0661 0.076 Uiso 1 1 calc R . . C19 C -0.1043(10) 0.4584(7) 0.1560(7) 0.050(2) Uani 1 1 d . . . H19A H -0.0928 0.5147 0.1975 0.060 Uiso 1 1 calc R . . C20 C -0.0499(8) 0.3397(7) 0.1734(5) 0.0355(17) Uani 1 1 d . . . C21 C 0.0287(9) 0.2936(7) 0.2576(6) 0.0376(18) Uani 1 1 d . . . 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 La1 0.0354(3) 0.0272(2) 0.0276(2) -0.00505(16) -0.00576(19) -0.00058(18) La2 0.0462(3) 0.0257(2) 0.0288(2) -0.00455(16) -0.0053(2) -0.00096(19) O1 0.042(4) 0.033(3) 0.039(3) -0.001(2) -0.009(3) -0.006(2) O2 0.060(5) 0.055(4) 0.049(3) 0.020(3) -0.006(3) -0.011(3) O3 0.038(3) 0.030(3) 0.032(3) -0.002(2) -0.004(2) 0.001(2) O4 0.053(4) 0.039(3) 0.044(3) 0.006(2) -0.007(3) 0.009(3) O5 0.047(4) 0.035(3) 0.054(3) -0.014(2) -0.013(3) -0.001(3) O6 0.066(5) 0.042(4) 0.127(6) -0.020(4) -0.037(5) -0.005(3) O7 0.058(4) 0.035(3) 0.035(3) -0.006(2) -0.011(3) -0.002(3) O8 0.085(5) 0.029(3) 0.044(3) 0.002(2) -0.014(3) -0.007(3) O9 0.038(3) 0.029(3) 0.032(3) -0.008(2) -0.006(2) 0.000(2) O10 0.053(4) 0.047(3) 0.037(3) -0.007(2) -0.017(3) 0.003(3) O11 0.055(4) 0.036(3) 0.039(3) -0.014(2) -0.015(3) 0.008(3) O12 0.059(4) 0.040(3) 0.034(3) -0.012(2) -0.011(3) -0.007(3) O13 0.061(4) 0.045(3) 0.049(3) -0.016(3) 0.007(3) -0.002(3) O14 0.061(4) 0.054(3) 0.031(3) -0.002(2) -0.012(3) -0.022(3) O15 0.093(6) 0.055(4) 0.045(3) -0.019(3) -0.031(4) 0.027(4) O16 0.114(6) 0.038(3) 0.032(3) -0.010(2) -0.003(4) -0.013(3) O17 0.021(7) 0.029(6) 0.167(14) 0.017(7) 0.012(8) 0.005(5) O18 0.043(18) 0.09(2) 0.052(16) -0.008(14) -0.029(14) -0.024(15) O19 0.017(16) 0.12(3) 0.13(3) -0.04(3) -0.018(19) 0.012(16) N1 0.044(4) 0.033(3) 0.031(3) -0.008(3) -0.007(3) -0.002(3) N2 0.047(5) 0.035(4) 0.033(3) -0.007(3) -0.005(3) 0.001(3) N3 0.047(4) 0.025(3) 0.033(3) -0.007(2) -0.006(3) 0.002(3) C1 0.050(6) 0.032(4) 0.037(4) -0.005(3) -0.006(4) 0.002(4) C2 0.049(6) 0.033(4) 0.035(4) -0.002(3) -0.005(4) -0.005(4) C3 0.039(6) 0.048(5) 0.075(6) 0.002(4) -0.004(5) -0.010(4) C4 0.041(6) 0.076(7) 0.078(7) 0.012(5) -0.019(6) -0.007(5) C5 0.044(6) 0.050(5) 0.061(6) 0.005(4) -0.010(5) 0.003(4) C6 0.037(5) 0.035(4) 0.032(4) -0.002(3) -0.004(4) 0.000(3) C7 0.045(6) 0.032(4) 0.036(4) -0.010(3) -0.005(4) 0.004(4) C8 0.052(7) 0.048(5) 0.061(6) -0.018(4) -0.016(5) -0.004(5) C9 0.048(6) 0.040(4) 0.038(4) -0.004(3) -0.008(4) -0.003(4) C10 0.063(7) 0.060(6) 0.069(6) -0.017(5) -0.031(6) 0.005(5) C11 0.060(7) 0.063(6) 0.072(7) -0.011(5) -0.029(6) 0.011(5) C12 0.064(7) 0.046(5) 0.063(6) -0.007(4) -0.023(5) 0.004(5) C13 0.043(5) 0.036(4) 0.030(4) -0.002(3) 0.003(4) -0.001(4) C14 0.061(6) 0.024(4) 0.031(4) -0.006(3) -0.005(4) 0.002(4) C15 0.035(5) 0.025(4) 0.037(4) -0.006(3) 0.001(4) 0.000(3) C16 0.053(6) 0.033(5) 0.037(5) -0.006(3) -0.004(4) 0.004(4) C17 0.058(6) 0.044(5) 0.059(5) -0.018(4) -0.028(5) 0.019(4) C18 0.092(9) 0.030(4) 0.078(7) -0.018(4) -0.037(7) 0.022(5) C19 0.067(7) 0.034(4) 0.049(5) -0.014(4) -0.008(5) 0.006(4) C20 0.037(5) 0.037(4) 0.031(4) -0.011(3) -0.002(3) 0.005(3) C21 0.047(5) 0.033(4) 0.029(4) -0.002(3) -0.001(4) -0.012(4) _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 La1 O1 2.503(5) . ? La1 O13 2.516(6) . ? La1 O9 2.579(4) . ? La1 O11 2.586(5) . ? La1 O9 2.594(5) 2 ? La1 O14 2.594(5) . ? La1 O3 2.609(4) . ? La1 N1 2.638(7) . ? La1 N3 2.739(6) . ? La1 O10 2.973(5) 2 ? La1 C15 3.131(7) 2 ? La2 O12 2.540(5) 2_556 ? La2 O5 2.548(5) . ? La2 O15 2.575(6) . ? La2 O16 2.578(5) . ? La2 O4 2.598(6) . ? La2 O7 2.601(6) 2_546 ? La2 O7 2.607(5) . ? La2 O3 2.665(4) . ? La2 N2 2.694(6) . ? La2 O8 2.878(6) 2_546 ? La2 C7 2.980(8) . ? La2 C14 3.107(9) 2_546 ? O1 C1 1.267(10) . ? O2 C1 1.250(10) . ? O3 C7 1.269(9) . ? O4 C7 1.239(8) . ? O5 C8 1.261(10) . ? O6 C8 1.242(10) . ? O7 C14 1.268(8) . ? O7 La2 2.601(6) 2_546 ? O8 C14 1.233(8) . ? O8 La2 2.878(6) 2_546 ? O9 C15 1.288(8) . ? O9 La1 2.594(5) 2 ? O10 C15 1.227(8) . ? O10 La1 2.973(5) 2 ? O11 C21 1.249(9) . ? O12 C21 1.272(8) . ? O12 La2 2.540(5) 2_556 ? O18 O19 1.09(4) . ? O19 O19 1.59(7) 2_465 ? N1 C2 1.334(9) . ? N1 C6 1.346(8) . ? N2 C13 1.333(9) . ? N2 C9 1.335(10) . ? N3 C20 1.330(9) . ? N3 C16 1.335(9) . ? C1 C2 1.535(10) . ? C2 C3 1.379(12) . ? C3 C4 1.383(11) . ? C4 C5 1.364(13) . ? C5 C6 1.368(12) . ? C6 C7 1.512(11) . ? C8 C9 1.517(11) . ? C9 C10 1.366(11) . ? C10 C11 1.361(12) . ? C11 C12 1.366(13) . ? C12 C13 1.381(11) . ? C13 C14 1.497(11) . ? C14 La2 3.107(9) 2_546 ? C15 C16 1.498(10) . ? C15 La1 3.131(7) 2 ? C16 C17 1.387(10) . ? C17 C18 1.390(11) . ? C18 C19 1.360(11) . ? C19 C20 1.375(10) . ? C20 C21 1.496(10) . ? 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 La1 O13 144.69(17) . . ? O1 La1 O9 78.90(16) . . ? O13 La1 O9 92.38(18) . . ? O1 La1 O11 82.80(17) . . ? O13 La1 O11 71.25(18) . . ? O9 La1 O11 118.14(14) . . ? O1 La1 O9 72.46(15) . 2 ? O13 La1 O9 132.73(17) . 2 ? O9 La1 O9 61.58(18) . 2 ? O11 La1 O9 154.93(17) . 2 ? O1 La1 O14 138.06(16) . . ? O13 La1 O14 66.65(18) . . ? O9 La1 O14 71.20(15) . . ? O11 La1 O14 137.30(18) . . ? O9 La1 O14 67.70(16) 2 . ? O1 La1 O3 123.12(17) . . ? O13 La1 O3 75.57(18) . . ? O9 La1 O3 155.29(15) . . ? O11 La1 O3 78.83(15) . . ? O9 La1 O3 111.23(14) 2 . ? O14 La1 O3 84.17(15) . . ? O1 La1 N1 61.53(17) . . ? O13 La1 N1 127.84(18) . . ? O9 La1 N1 138.04(17) . . ? O11 La1 N1 72.41(18) . . ? O9 La1 N1 91.80(17) 2 . ? O14 La1 N1 130.91(18) . . ? O3 La1 N1 61.62(17) . . ? O1 La1 N3 70.47(19) . . ? O13 La1 N3 75.66(18) . . ? O9 La1 N3 59.20(15) . . ? O11 La1 N3 58.96(16) . . ? O9 La1 N3 114.11(15) 2 . ? O14 La1 N3 114.88(19) . . ? O3 La1 N3 134.61(16) . . ? N1 La1 N3 114.21(18) . . ? O1 La1 O10 96.01(16) . 2 ? O13 La1 O10 119.28(16) . 2 ? O9 La1 O10 104.43(14) . 2 ? O11 La1 O10 136.11(15) . 2 ? O9 La1 O10 46.07(13) 2 2 ? O14 La1 O10 65.02(18) . 2 ? O3 La1 O10 65.20(14) . 2 ? N1 La1 O10 68.83(16) . 2 ? N3 La1 O10 159.84(16) . 2 ? O1 La1 C15 87.42(18) . 2 ? O13 La1 C15 125.52(18) . 2 ? O9 La1 C15 81.86(17) . 2 ? O11 La1 C15 155.22(19) . 2 ? O9 La1 C15 23.70(15) 2 2 ? O14 La1 C15 60.2(2) . 2 ? O3 La1 C15 87.71(16) . 2 ? N1 La1 C15 82.90(19) . 2 ? N3 La1 C15 137.68(17) . 2 ? O10 La1 C15 23.00(14) 2 2 ? O12 La2 O5 73.93(17) 2_556 . ? O12 La2 O15 70.99(17) 2_556 . ? O5 La2 O15 72.38(19) . . ? O12 La2 O16 143.07(17) 2_556 . ? O5 La2 O16 138.5(2) . . ? O15 La2 O16 127.33(18) . . ? O12 La2 O4 137.93(17) 2_556 . ? O5 La2 O4 67.13(19) . . ? O15 La2 O4 110.0(2) . . ? O16 La2 O4 71.5(2) . . ? O12 La2 O7 72.27(16) 2_556 2_546 ? O5 La2 O7 146.10(18) . 2_546 ? O15 La2 O7 94.1(2) . 2_546 ? O16 La2 O7 74.45(19) . 2_546 ? O4 La2 O7 145.65(17) . 2_546 ? O12 La2 O7 82.78(16) 2_556 . ? O5 La2 O7 118.10(16) . . ? O15 La2 O7 148.0(2) . . ? O16 La2 O7 66.80(16) . . ? O4 La2 O7 101.61(18) . . ? O7 La2 O7 59.8(2) 2_546 . ? O12 La2 O3 143.36(15) 2_556 . ? O5 La2 O3 86.15(16) . . ? O15 La2 O3 73.81(18) . . ? O16 La2 O3 69.49(15) . . ? O4 La2 O3 49.56(15) . . ? O7 La2 O3 120.55(15) 2_546 . ? O7 La2 O3 133.83(16) . . ? O12 La2 N2 75.25(19) 2_556 . ? O5 La2 N2 60.30(17) . . ? O15 La2 N2 127.57(17) . . ? O16 La2 N2 103.7(2) . . ? O4 La2 N2 72.14(18) . . ? O7 La2 N2 112.39(17) 2_546 . ? O7 La2 N2 58.51(17) . . ? O3 La2 N2 120.95(18) . . ? O12 La2 O8 97.79(17) 2_556 2_546 ? O5 La2 O8 137.80(16) . 2_546 ? O15 La2 O8 65.93(17) . 2_546 ? O16 La2 O8 69.7(2) . 2_546 ? O4 La2 O8 121.63(16) . 2_546 ? O7 La2 O8 46.83(14) 2_546 2_546 ? O7 La2 O8 101.16(15) . 2_546 ? O3 La2 O8 76.55(15) . 2_546 ? N2 La2 O8 158.84(17) . 2_546 ? O12 La2 C7 146.62(18) 2_556 . ? O5 La2 C7 73.82(19) . . ? O15 La2 C7 91.2(2) . . ? O16 La2 C7 70.07(19) . . ? O4 La2 C7 24.46(18) . . ? O7 La2 C7 138.83(18) 2_546 . ? O7 La2 C7 120.4(2) . . ? O3 La2 C7 25.20(17) . . ? N2 La2 C7 95.9(2) . . ? O8 La2 C7 100.24(19) 2_546 . ? O12 La2 C14 86.39(18) 2_556 2_546 ? O5 La2 C14 150.7(2) . 2_546 ? O15 La2 C14 80.9(2) . 2_546 ? O16 La2 C14 68.5(2) . 2_546 ? O4 La2 C14 135.67(18) . 2_546 ? O7 La2 C14 23.61(16) 2_546 2_546 ? O7 La2 C14 79.54(18) . 2_546 ? O3 La2 C14 97.88(17) . 2_546 ? N2 La2 C14 135.57(18) . 2_546 ? O8 La2 C14 23.37(15) 2_546 2_546 ? C7 La2 C14 119.3(2) . 2_546 ? C1 O1 La1 127.4(4) . . ? C7 O3 La1 121.8(5) . . ? C7 O3 La2 91.4(4) . . ? La1 O3 La2 143.9(2) . . ? C7 O4 La2 95.3(5) . . ? C8 O5 La2 122.6(5) . . ? C14 O7 La2 101.2(5) . 2_546 ? C14 O7 La2 125.8(4) . . ? La2 O7 La2 120.2(2) 2_546 . ? C14 O8 La2 88.8(5) . 2_546 ? C15 O9 La1 127.9(4) . . ? C15 O9 La1 102.2(4) . 2 ? La1 O9 La1 118.42(18) . 2 ? C15 O10 La1 85.8(4) . 2 ? C21 O11 La1 127.9(5) . . ? C21 O12 La2 125.7(5) . 2_556 ? O18 O19 O19 135(4) . 2_465 ? C2 N1 C6 117.6(7) . . ? C2 N1 La1 120.9(5) . . ? C6 N1 La1 121.4(5) . . ? C13 N2 C9 117.7(7) . . ? C13 N2 La2 122.9(5) . . ? C9 N2 La2 119.3(5) . . ? C20 N3 C16 119.0(6) . . ? C20 N3 La1 120.7(5) . . ? C16 N3 La1 120.1(4) . . ? O2 C1 O1 125.7(7) . . ? O2 C1 C2 118.2(8) . . ? O1 C1 C2 116.1(7) . . ? N1 C2 C3 123.6(7) . . ? N1 C2 C1 113.8(7) . . ? C3 C2 C1 122.6(8) . . ? C2 C3 C4 117.3(9) . . ? C5 C4 C3 119.9(9) . . ? C4 C5 C6 119.1(8) . . ? N1 C6 C5 122.4(7) . . ? N1 C6 C7 114.0(7) . . ? C5 C6 C7 123.6(7) . . ? O4 C7 O3 123.2(8) . . ? O4 C7 C6 118.4(8) . . ? O3 C7 C6 118.4(6) . . ? O4 C7 La2 60.2(4) . . ? O3 C7 La2 63.4(4) . . ? C6 C7 La2 174.9(5) . . ? O6 C8 O5 124.5(8) . . ? O6 C8 C9 118.3(8) . . ? O5 C8 C9 117.2(7) . . ? N2 C9 C10 122.0(7) . . ? N2 C9 C8 113.2(7) . . ? C10 C9 C8 124.7(8) . . ? C11 C10 C9 120.0(9) . . ? C10 C11 C12 118.9(9) . . ? C11 C12 C13 118.4(8) . . ? N2 C13 C12 122.8(8) . . ? N2 C13 C14 113.1(7) . . ? C12 C13 C14 124.0(7) . . ? O8 C14 O7 122.4(8) . . ? O8 C14 C13 122.4(7) . . ? O7 C14 C13 115.1(6) . . ? O8 C14 La2 67.8(5) . 2_546 ? O7 C14 La2 55.2(4) . 2_546 ? C13 C14 La2 165.3(5) . 2_546 ? O10 C15 O9 122.6(6) . . ? O10 C15 C16 122.5(6) . . ? O9 C15 C16 114.9(6) . . ? O10 C15 La1 71.2(4) . 2 ? O9 C15 La1 54.0(3) . 2 ? C16 C15 La1 158.6(6) . 2 ? N3 C16 C17 121.5(7) . . ? N3 C16 C15 116.0(6) . . ? C17 C16 C15 122.5(7) . . ? C16 C17 C18 119.1(7) . . ? C19 C18 C17 118.2(7) . . ? C18 C19 C20 120.1(7) . . ? N3 C20 C19 122.0(7) . . ? N3 C20 C21 114.6(6) . . ? C19 C20 C21 123.4(7) . . ? O11 C21 O12 125.1(7) . . ? O11 C21 C20 117.0(6) . . ? O12 C21 C20 117.8(7) . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 26.37 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 1.530 _refine_diff_density_min -0.721 _refine_diff_density_rms 0.160