# Supplementary Material (ESI) for ChemComm # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 182/1509 data_rs9904 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C35 H54 Al2 Li2 N2 O5' _chemical_formula_weight 650.64 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 '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' 'Li' 'Li' 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Al' 'Al' 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0492 0.0322 '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 12.333(3) _cell_length_b 13.439(3) _cell_length_c 14.021(4) _cell_angle_alpha 109.870(10) _cell_angle_beta 91.58(2) _cell_angle_gamma 114.210(10) _cell_volume 1955.2(9) _cell_formula_units_Z 2 _cell_measurement_temperature 180(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.80 _exptl_crystal_size_mid 0.60 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.105 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 700 _exptl_absorpt_coefficient_mu 0.972 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min 0.5103 _exptl_absorpt_correction_T_max 0.8294 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 180(2) _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_type CuK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 8243 _diffrn_reflns_av_R_equivalents 0.0301 _diffrn_reflns_av_sigmaI/netI 0.0316 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 4.01 _diffrn_reflns_theta_max 54.98 _reflns_number_total 4837 _reflns_number_gt 4242 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _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^)+(0.0959P)^2^+2.0047P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4837 _refine_ls_number_parameters 428 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0703 _refine_ls_R_factor_gt 0.0640 _refine_ls_wR_factor_ref 0.1766 _refine_ls_wR_factor_gt 0.1707 _refine_ls_goodness_of_fit_ref 1.031 _refine_ls_restrained_S_all 1.031 _refine_ls_shift/su_max 0.075 _refine_ls_shift/su_mean 0.002 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 Al1 Al 0.26639(9) 0.20043(10) 0.70076(8) 0.0520(3) Uani 1 1 d . . . O1 O 0.49060(18) 0.37132(17) 0.62885(16) 0.0398(5) Uani 1 1 d . . . N1 N 0.4407(3) 0.2549(3) 0.7199(2) 0.0545(8) Uani 1 1 d . . . Li1 Li 0.3494(5) 0.2809(5) 0.5177(4) 0.0427(13) Uani 1 1 d . . . C1 C 0.3326(5) 0.4162(5) 0.8867(5) 0.111(2) Uani 1 1 d . . . H1A H 0.3103 0.4574 0.9493 0.166 Uiso 1 1 calc R . . H1B H 0.3443 0.4586 0.8402 0.166 Uiso 1 1 calc R . . H1C H 0.4081 0.4132 0.9055 0.166 Uiso 1 1 calc R . . Al2 Al 0.26926(8) 0.23800(8) 0.29425(7) 0.0399(3) Uani 1 1 d . . . O2 O 0.37746(16) 0.43110(16) 0.49282(15) 0.0332(5) Uani 1 1 d . . . N2 N 0.1997(2) 0.3317(2) 0.3825(2) 0.0387(6) Uani 1 1 d . . . C2 C 0.1175(5) 0.3034(7) 0.8091(5) 0.113(2) Uani 1 1 d . . . H2A H 0.1018 0.3491 0.8734 0.169 Uiso 1 1 calc R . . H2B H 0.0487 0.2246 0.7774 0.169 Uiso 1 1 calc R . . H2C H 0.1285 0.3441 0.7613 0.169 Uiso 1 1 calc R . . Li2 Li 0.5169(4) 0.5147(4) 0.6071(4) 0.0385(12) Uani 1 1 d . . . C3 C 0.2095(6) 0.2282(6) 0.9086(4) 0.111(2) Uani 1 1 d . . . H3A H 0.1823 0.2697 0.9675 0.167 Uiso 1 1 calc R . . H3B H 0.2846 0.2283 0.9333 0.167 Uiso 1 1 calc R . . H3C H 0.1469 0.1465 0.8734 0.167 Uiso 1 1 calc R . . O3 O 0.3130(2) 0.17845(18) 0.37336(16) 0.0452(6) Uani 1 1 d . . . C4 C 0.2324(4) 0.2914(4) 0.8326(3) 0.0665(11) Uani 1 1 d . . . O4 O 0.22801(18) 0.2315(2) 0.59479(17) 0.0499(6) Uani 1 1 d . . . C5 C 0.1916(4) 0.0271(4) 0.6634(4) 0.0858(15) Uani 1 1 d . . . H5A H 0.2343 0.0091 0.7102 0.129 Uiso 1 1 calc R . . H5B H 0.1974 -0.0122 0.5921 0.129 Uiso 1 1 calc R . . H5C H 0.1062 -0.0011 0.6695 0.129 Uiso 1 1 calc R . . O5 O 0.39938(18) 0.34399(18) 0.27403(15) 0.0413(5) Uani 1 1 d . . . C6 C 0.4831(4) 0.2126(5) 0.7906(4) 0.0918(17) Uani 1 1 d . . . H6A H 0.5602 0.2756 0.8354 0.138 Uiso 1 1 calc R . . H6B H 0.4947 0.1435 0.7502 0.138 Uiso 1 1 calc R . . H6C H 0.4227 0.1908 0.8331 0.138 Uiso 1 1 calc R . . C7 C 0.5210(3) 0.3311(3) 0.6886(2) 0.0409(8) Uani 1 1 d . . . C8 C 0.6546(3) 0.3714(3) 0.7212(3) 0.0446(8) Uani 1 1 d . . . C9 C 0.7067(3) 0.2961(4) 0.6830(3) 0.0614(10) Uani 1 1 d . . . H9A H 0.6577 0.2164 0.6374 0.074 Uiso 1 1 calc R . . C10 C 0.8322(4) 0.3374(5) 0.7118(4) 0.0786(14) Uani 1 1 d . . . H10A H 0.8688 0.2865 0.6850 0.094 Uiso 1 1 calc R . . C11 C 0.9015(4) 0.4524(5) 0.7793(4) 0.0828(15) Uani 1 1 d . . . H11A H 0.9861 0.4802 0.8000 0.099 Uiso 1 1 calc R . . C12 C 0.8506(4) 0.5264(4) 0.8165(4) 0.0757(13) Uani 1 1 d . . . H12A H 0.8997 0.6055 0.8632 0.091 Uiso 1 1 calc R . . C13 C 0.7277(3) 0.4875(3) 0.7869(3) 0.0575(10) Uani 1 1 d . . . H13A H 0.6931 0.5406 0.8117 0.069 Uiso 1 1 calc R . . C14 C 0.1047(3) 0.1756(4) 0.5427(3) 0.0702(12) Uani 1 1 d . . . H14A H 0.0546 0.1200 0.5723 0.105 Uiso 1 1 calc R . . H14B H 0.0987 0.1328 0.4690 0.105 Uiso 1 1 calc R . . H14C H 0.0762 0.2357 0.5509 0.105 Uiso 1 1 calc R . . C15 C 0.4128(6) 0.0821(5) 0.2528(4) 0.0958(16) Uani 1 1 d . . . H15A H 0.4899 0.1541 0.2762 0.144 Uiso 1 1 calc R . . H15B H 0.3637 0.0802 0.1955 0.144 Uiso 1 1 calc R . . H15C H 0.4285 0.0126 0.2296 0.144 Uiso 1 1 calc R . . C16 C 0.4200(6) 0.0915(5) 0.4335(4) 0.0953(17) Uani 1 1 d . . . H16A H 0.3737 0.0882 0.4890 0.143 Uiso 1 1 calc R . . H16B H 0.4935 0.1669 0.4578 0.143 Uiso 1 1 calc R . . H16C H 0.4423 0.0262 0.4134 0.143 Uiso 1 1 calc R . . C17 C 0.3443(4) 0.0811(3) 0.3424(3) 0.0581(10) Uani 1 1 d . . . C18 C 0.2266(6) -0.0331(4) 0.3043(5) 0.108(2) Uani 1 1 d . . . H18A H 0.1827 -0.0369 0.3612 0.161 Uiso 1 1 calc R . . H18B H 0.2450 -0.1009 0.2796 0.161 Uiso 1 1 calc R . . H18C H 0.1764 -0.0350 0.2477 0.161 Uiso 1 1 calc R . . C19 C 0.1478(4) 0.1293(3) 0.1675(3) 0.0643(11) Uani 1 1 d . . . H19A H 0.1217 0.1742 0.1380 0.096 Uiso 1 1 calc R . . H19B H 0.0778 0.0728 0.1835 0.096 Uiso 1 1 calc R . . H19C H 0.1830 0.0864 0.1175 0.096 Uiso 1 1 calc R . . C20 C 0.0729(3) 0.3082(3) 0.3562(3) 0.0519(9) Uani 1 1 d . . . H20A H 0.0505 0.3531 0.4167 0.078 Uiso 1 1 calc R . . H20B H 0.0199 0.2236 0.3353 0.078 Uiso 1 1 calc R . . H20C H 0.0638 0.3324 0.2991 0.078 Uiso 1 1 calc R . . C21 C 0.2697(3) 0.4187(3) 0.4682(2) 0.0347(7) Uani 1 1 d . . . C22 C 0.2363(3) 0.5068(3) 0.5403(2) 0.0411(8) Uani 1 1 d . . . C23 C 0.2387(3) 0.5185(4) 0.6422(3) 0.0575(10) Uani 1 1 d . . . H23A H 0.2550 0.4658 0.6644 0.069 Uiso 1 1 calc R . . C24 C 0.2176(4) 0.6059(5) 0.7115(3) 0.0767(14) Uani 1 1 d . . . H24A H 0.2172 0.6124 0.7811 0.092 Uiso 1 1 calc R . . C25 C 0.1969(4) 0.6847(5) 0.6798(4) 0.0806(15) Uani 1 1 d . . . H25A H 0.1842 0.7464 0.7282 0.097 Uiso 1 1 calc R . . C26 C 0.1946(4) 0.6741(4) 0.5796(4) 0.0769(13) Uani 1 1 d . . . H26A H 0.1812 0.7289 0.5584 0.092 Uiso 1 1 calc R . . C27 C 0.2120(3) 0.5835(3) 0.5084(3) 0.0583(10) Uani 1 1 d . . . H27A H 0.2071 0.5741 0.4379 0.070 Uiso 1 1 calc R . . C28 C 0.4438(4) 0.3254(4) 0.1810(3) 0.0600(10) Uani 1 1 d . . . H28A H 0.4676 0.3957 0.1643 0.090 Uiso 1 1 calc R . . H28B H 0.3804 0.2570 0.1250 0.090 Uiso 1 1 calc R . . H28C H 0.5144 0.3107 0.1892 0.090 Uiso 1 1 calc R . . C100 C 0.2734(9) 0.9662(6) -0.0796(5) 0.162(4) Uani 1 1 d . . . H10B H 0.1938 0.9591 -0.1022 0.243 Uiso 1 1 calc R . . H10C H 0.3159 0.9590 -0.1377 0.243 Uiso 1 1 calc R . . H10D H 0.3209 1.0433 -0.0234 0.243 Uiso 1 1 calc R . . C101 C 0.2585(8) 0.8765(5) -0.0447(4) 0.114(2) Uani 1 1 d . . . C102 C 0.3517(6) 0.8425(6) -0.0422(4) 0.0985(18) Uani 1 1 d . . . H10E H 0.4238 0.8809 -0.0645 0.118 Uiso 1 1 calc R . . C103 C 0.3413(5) 0.7601(6) -0.0103(4) 0.1012(18) Uani 1 1 d . . . H10F H 0.4066 0.7401 -0.0091 0.121 Uiso 1 1 calc R . . C104 C 0.2347(7) 0.6977(6) 0.0235(4) 0.1052(19) Uani 1 1 d . . . H10G H 0.2273 0.6362 0.0458 0.126 Uiso 1 1 calc R . . C105 C 0.1489(6) 0.7297(7) 0.0220(4) 0.114(2) Uani 1 1 d . . . H10H H 0.0782 0.6911 0.0457 0.137 Uiso 1 1 calc R . . C106 C 0.1540(5) 0.8201(5) -0.0134(4) 0.0830(14) Uani 1 1 d . . . H10J H 0.0883 0.8396 -0.0151 0.100 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 Al1 0.0367(6) 0.0564(7) 0.0560(7) 0.0343(5) -0.0012(5) 0.0050(5) O1 0.0345(12) 0.0337(11) 0.0465(13) 0.0203(10) -0.0061(9) 0.0077(9) N1 0.0402(16) 0.0645(19) 0.0628(19) 0.0429(17) 0.0007(14) 0.0129(15) Li1 0.039(3) 0.038(3) 0.041(3) 0.020(2) -0.004(2) 0.005(2) C1 0.108(4) 0.078(4) 0.108(4) 0.017(3) 0.029(3) 0.021(3) Al2 0.0368(5) 0.0315(5) 0.0386(5) 0.0108(4) -0.0064(4) 0.0065(4) O2 0.0241(11) 0.0334(11) 0.0389(12) 0.0159(9) -0.0015(9) 0.0088(9) N2 0.0266(13) 0.0388(15) 0.0457(16) 0.0192(13) -0.0024(12) 0.0083(12) C2 0.100(4) 0.168(6) 0.114(4) 0.076(4) 0.047(4) 0.081(4) Li2 0.031(3) 0.035(3) 0.040(3) 0.016(2) -0.003(2) 0.006(2) C3 0.154(6) 0.122(5) 0.076(3) 0.059(3) 0.043(4) 0.060(4) O3 0.0514(13) 0.0300(12) 0.0448(13) 0.0120(10) -0.0045(10) 0.0124(10) C4 0.054(2) 0.077(3) 0.066(3) 0.038(2) 0.0119(19) 0.018(2) O4 0.0304(12) 0.0549(14) 0.0548(14) 0.0311(12) -0.0053(10) 0.0031(10) C5 0.083(3) 0.068(3) 0.089(3) 0.047(3) -0.008(3) 0.006(2) O5 0.0390(12) 0.0383(12) 0.0360(12) 0.0131(10) 0.0022(9) 0.0089(10) C6 0.056(3) 0.138(4) 0.117(4) 0.104(4) 0.011(3) 0.032(3) C7 0.0381(18) 0.0383(18) 0.0408(18) 0.0156(15) -0.0038(14) 0.0122(15) C8 0.0380(18) 0.045(2) 0.055(2) 0.0296(17) -0.0005(15) 0.0141(16) C9 0.052(2) 0.057(2) 0.085(3) 0.041(2) 0.006(2) 0.022(2) C10 0.058(3) 0.094(4) 0.126(4) 0.071(3) 0.023(3) 0.049(3) C11 0.038(2) 0.090(4) 0.133(4) 0.076(3) -0.002(2) 0.015(3) C12 0.047(2) 0.065(3) 0.102(3) 0.043(3) -0.019(2) 0.006(2) C13 0.047(2) 0.053(2) 0.067(2) 0.027(2) -0.0093(18) 0.0148(18) C14 0.036(2) 0.077(3) 0.080(3) 0.046(2) -0.0119(19) -0.0022(19) C15 0.137(5) 0.097(4) 0.079(3) 0.030(3) 0.024(3) 0.078(4) C16 0.149(5) 0.079(3) 0.075(3) 0.017(3) -0.010(3) 0.078(4) C17 0.077(3) 0.037(2) 0.058(2) 0.0159(17) 0.0003(19) 0.0267(19) C18 0.132(5) 0.040(2) 0.117(4) 0.018(3) -0.020(4) 0.020(3) C19 0.058(2) 0.054(2) 0.053(2) 0.0104(18) -0.0134(18) 0.0088(19) C20 0.0269(17) 0.061(2) 0.059(2) 0.0244(18) -0.0045(15) 0.0118(16) C21 0.0287(17) 0.0362(17) 0.0393(18) 0.0210(15) 0.0029(14) 0.0095(14) C22 0.0245(16) 0.0458(19) 0.048(2) 0.0159(16) 0.0047(13) 0.0126(14) C23 0.047(2) 0.073(3) 0.048(2) 0.019(2) 0.0046(17) 0.025(2) C24 0.054(3) 0.107(4) 0.051(2) 0.010(3) 0.0074(19) 0.036(3) C25 0.054(3) 0.089(3) 0.076(3) -0.004(3) 0.006(2) 0.040(2) C26 0.065(3) 0.072(3) 0.107(4) 0.031(3) 0.020(3) 0.046(2) C27 0.056(2) 0.065(2) 0.070(3) 0.032(2) 0.0208(19) 0.036(2) C28 0.064(2) 0.061(2) 0.045(2) 0.0156(18) 0.0117(18) 0.022(2) C100 0.293(11) 0.088(4) 0.071(4) 0.008(3) -0.008(5) 0.076(6) C101 0.170(7) 0.078(4) 0.051(3) 0.011(3) -0.010(3) 0.028(4) C102 0.103(4) 0.129(5) 0.061(3) 0.015(3) -0.003(3) 0.068(4) C103 0.091(4) 0.146(6) 0.065(3) 0.044(4) 0.016(3) 0.048(4) C104 0.134(5) 0.105(4) 0.066(3) 0.023(3) -0.008(3) 0.053(4) C105 0.093(4) 0.128(6) 0.073(4) 0.000(4) -0.016(3) 0.040(4) C106 0.084(4) 0.080(3) 0.060(3) 0.006(3) -0.004(2) 0.032(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 Al1 O4 1.775(2) . ? Al1 N1 1.943(3) . ? Al1 C5 1.983(5) . ? Al1 C4 2.003(5) . ? Al1 Li1 3.151(5) . ? O1 C7 1.262(4) . ? O1 Li1 1.940(5) . ? O1 Li2 1.950(5) . ? N1 C7 1.312(4) . ? N1 C6 1.475(5) . ? Li1 O4 1.900(6) . ? Li1 O3 1.935(6) . ? Li1 O2 2.056(6) . ? Li1 C21 2.685(6) . ? Li1 Li2 2.750(7) . ? Li1 Al2 3.043(5) . ? C1 C4 1.517(7) . ? Al2 O3 1.757(2) . ? Al2 O5 1.763(2) . ? Al2 N2 1.934(3) . ? Al2 C19 1.957(4) . ? Al2 Li2 3.066(5) 2_666 ? O2 C21 1.291(3) . ? O2 Li2 1.957(5) . ? O2 Li2 2.051(5) 2_666 ? N2 C21 1.310(4) . ? N2 C20 1.471(4) . ? C2 C4 1.529(7) . ? Li2 O5 1.896(5) 2_666 ? Li2 O2 2.051(5) 2_666 ? Li2 C21 2.776(6) 2_666 ? Li2 Li2 2.889(10) 2_666 ? Li2 Al2 3.066(5) 2_666 ? C3 C4 1.540(6) . ? O3 C17 1.444(4) . ? O4 C14 1.428(4) . ? O5 C28 1.412(4) . ? O5 Li2 1.896(5) 2_666 ? C7 C8 1.508(5) . ? C8 C9 1.381(5) . ? C8 C13 1.384(5) . ? C9 C10 1.406(6) . ? C10 C11 1.375(7) . ? C11 C12 1.354(7) . ? C12 C13 1.383(6) . ? C15 C17 1.534(6) . ? C16 C17 1.492(6) . ? C17 C18 1.524(6) . ? C21 C22 1.485(5) . ? C21 Li2 2.776(6) 2_666 ? C22 C23 1.381(5) . ? C22 C27 1.383(5) . ? C23 C24 1.371(6) . ? C24 C25 1.386(7) . ? C25 C26 1.362(7) . ? C26 C27 1.387(6) . ? C100 C101 1.397(8) . ? C101 C106 1.372(8) . ? C101 C102 1.404(9) . ? C102 C103 1.292(8) . ? C103 C104 1.433(8) . ? C104 C105 1.299(8) . ? C105 C106 1.439(9) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O4 Al1 N1 105.38(12) . . ? O4 Al1 C5 109.92(17) . . ? N1 Al1 C5 106.85(19) . . ? O4 Al1 C4 112.59(16) . . ? N1 Al1 C4 107.03(16) . . ? C5 Al1 C4 114.5(2) . . ? O4 Al1 Li1 32.20(12) . . ? N1 Al1 Li1 73.62(13) . . ? C5 Al1 Li1 114.81(18) . . ? C4 Al1 Li1 127.86(17) . . ? C7 O1 Li1 124.5(2) . . ? C7 O1 Li2 144.7(2) . . ? Li1 O1 Li2 90.0(2) . . ? C7 N1 C6 119.0(3) . . ? C7 N1 Al1 128.8(2) . . ? C6 N1 Al1 111.8(2) . . ? O4 Li1 O3 115.6(3) . . ? O4 Li1 O1 99.3(2) . . ? O3 Li1 O1 136.4(3) . . ? O4 Li1 O2 116.5(3) . . ? O3 Li1 O2 96.1(2) . . ? O1 Li1 O2 90.4(2) . . ? O4 Li1 C21 95.3(2) . . ? O3 Li1 C21 90.3(2) . . ? O1 Li1 C21 112.5(2) . . ? O2 Li1 C21 27.78(11) . . ? O4 Li1 Li2 115.1(3) . . ? O3 Li1 Li2 126.5(3) . . ? O1 Li1 Li2 45.14(16) . . ? O2 Li1 Li2 45.25(15) . . ? C21 Li1 Li2 69.06(18) . . ? O4 Li1 Al2 118.3(2) . . ? O3 Li1 Al2 32.62(11) . . ? O1 Li1 Al2 141.3(2) . . ? O2 Li1 Al2 65.55(14) . . ? C21 Li1 Al2 57.98(12) . . ? Li2 Li1 Al2 105.35(19) . . ? O4 Li1 Al1 29.85(11) . . ? O3 Li1 Al1 126.1(2) . . ? O1 Li1 Al1 74.66(16) . . ? O2 Li1 Al1 132.2(3) . . ? C21 Li1 Al1 120.2(2) . . ? Li2 Li1 Al1 106.43(19) . . ? Al2 Li1 Al1 143.95(18) . . ? O3 Al2 O5 109.53(11) . . ? O3 Al2 N2 103.46(11) . . ? O5 Al2 N2 103.58(11) . . ? O3 Al2 C19 118.46(15) . . ? O5 Al2 C19 113.18(15) . . ? N2 Al2 C19 107.04(16) . . ? O3 Al2 Li1 36.42(13) . . ? O5 Al2 Li1 101.06(12) . . ? N2 Al2 Li1 71.14(14) . . ? C19 Al2 Li1 144.74(16) . . ? O3 Al2 Li2 95.88(12) . 2_666 ? O5 Al2 Li2 34.48(12) . 2_666 ? N2 Al2 Li2 76.39(13) . 2_666 ? C19 Al2 Li2 142.52(16) . 2_666 ? Li1 Al2 Li2 72.48(13) . 2_666 ? C21 O2 Li2 142.3(2) . . ? C21 O2 Li2 110.2(2) . 2_666 ? Li2 O2 Li2 92.2(2) . 2_666 ? C21 O2 Li1 104.3(2) . . ? Li2 O2 Li1 86.5(2) . . ? Li2 O2 Li1 123.1(2) 2_666 . ? C21 N2 C20 120.0(3) . . ? C21 N2 Al2 117.6(2) . . ? C20 N2 Al2 122.3(2) . . ? O5 Li2 O1 114.3(3) 2_666 . ? O5 Li2 O2 143.1(3) 2_666 . ? O1 Li2 O2 93.1(2) . . ? O5 Li2 O2 96.8(2) 2_666 2_666 ? O1 Li2 O2 122.4(3) . 2_666 ? O2 Li2 O2 87.8(2) . 2_666 ? O5 Li2 Li1 150.3(3) 2_666 . ? O1 Li2 Li1 44.85(16) . . ? O2 Li2 Li1 48.27(16) . . ? O2 Li2 Li1 112.4(2) 2_666 . ? O5 Li2 C21 86.60(19) 2_666 2_666 ? O1 Li2 C21 106.3(2) . 2_666 ? O2 Li2 C21 109.9(2) . 2_666 ? O2 Li2 C21 25.88(10) 2_666 2_666 ? Li1 Li2 C21 117.2(2) . 2_666 ? O5 Li2 Li2 128.7(3) 2_666 2_666 ? O1 Li2 Li2 114.7(3) . 2_666 ? O2 Li2 Li2 45.19(14) . 2_666 ? O2 Li2 Li2 42.60(14) 2_666 2_666 ? Li1 Li2 Li2 79.6(2) . 2_666 ? C21 Li2 Li2 65.88(19) 2_666 2_666 ? O5 Li2 Al2 31.77(10) 2_666 2_666 ? O1 Li2 Al2 129.0(2) . 2_666 ? O2 Li2 Al2 137.2(2) . 2_666 ? O2 Li2 Al2 65.10(14) 2_666 2_666 ? Li1 Li2 Al2 171.8(2) . 2_666 ? C21 Li2 Al2 56.89(11) 2_666 2_666 ? Li2 Li2 Al2 101.4(2) 2_666 2_666 ? C17 O3 Al2 127.9(2) . . ? C17 O3 Li1 120.0(3) . . ? Al2 O3 Li1 110.95(19) . . ? C1 C4 C2 106.3(5) . . ? C1 C4 C3 109.0(4) . . ? C2 C4 C3 106.7(4) . . ? C1 C4 Al1 112.8(3) . . ? C2 C4 Al1 109.5(3) . . ? C3 C4 Al1 112.2(3) . . ? C14 O4 Al1 119.8(2) . . ? C14 O4 Li1 117.1(3) . . ? Al1 O4 Li1 118.0(2) . . ? C28 O5 Al2 124.4(2) . . ? C28 O5 Li2 121.7(3) . 2_666 ? Al2 O5 Li2 113.76(19) . 2_666 ? O1 C7 N1 122.0(3) . . ? O1 C7 C8 117.4(3) . . ? N1 C7 C8 120.5(3) . . ? C9 C8 C13 119.2(3) . . ? C9 C8 C7 121.2(3) . . ? C13 C8 C7 119.6(3) . . ? C8 C9 C10 119.9(4) . . ? C11 C10 C9 119.4(4) . . ? C12 C11 C10 120.8(4) . . ? C11 C12 C13 120.3(4) . . ? C12 C13 C8 120.4(4) . . ? O3 C17 C16 108.6(3) . . ? O3 C17 C18 107.7(4) . . ? C16 C17 C18 111.2(4) . . ? O3 C17 C15 110.4(3) . . ? C16 C17 C15 110.7(4) . . ? C18 C17 C15 108.1(4) . . ? O2 C21 N2 118.4(3) . . ? O2 C21 C22 116.2(3) . . ? N2 C21 C22 125.4(3) . . ? O2 C21 Li1 47.92(17) . . ? N2 C21 Li1 92.2(2) . . ? C22 C21 Li1 126.1(2) . . ? O2 C21 Li2 43.91(16) . 2_666 ? N2 C21 Li2 97.3(2) . 2_666 ? C22 C21 Li2 122.1(2) . 2_666 ? Li1 C21 Li2 82.80(18) . 2_666 ? C23 C22 C27 119.6(3) . . ? C23 C22 C21 119.8(3) . . ? C27 C22 C21 120.4(3) . . ? C24 C23 C22 120.3(4) . . ? C23 C24 C25 119.8(4) . . ? C26 C25 C24 120.4(4) . . ? C25 C26 C27 120.0(4) . . ? C22 C27 C26 119.9(4) . . ? C106 C101 C100 121.3(8) . . ? C106 C101 C102 119.3(6) . . ? C100 C101 C102 119.4(8) . . ? C103 C102 C101 121.2(7) . . ? C102 C103 C104 122.5(7) . . ? C105 C104 C103 116.3(7) . . ? C104 C105 C106 124.2(7) . . ? C101 C106 C105 116.6(6) . . ? _diffrn_measured_fraction_theta_max 0.986 _diffrn_reflns_theta_full 54.99 _diffrn_measured_fraction_theta_full 0.986 _refine_diff_density_max 0.691 _refine_diff_density_min -0.433 _refine_diff_density_rms 0.054