# Supplementary Material (ESI) for Dalton Transactions # This journal is (c) The Royal Society of Chemistry 2008 data_s3190a _database_code_depnum_ccdc_archive 'CCDC 249825' _database_code_depnum_ccdc_archive 'CCDC 249825' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C40 H72 Li4 N4' _chemical_formula_sum 'C40 H72 Li4 N4' _chemical_formula_weight 636.78 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' Li Li -0.0003 0.0001 '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' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.2596(1) _cell_length_b 10.7254(2) _cell_length_c 19.3963(3) _cell_angle_alpha 88.6961(7) _cell_angle_beta 89.1097(8) _cell_angle_gamma 74.9462(6) _cell_volume 2060.45(5) _cell_formula_units_Z 2 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 62207 _cell_measurement_theta_min 1.02 _cell_measurement_theta_max 22.72 _exptl_crystal_description 'triangular block' _exptl_crystal_colour colourless _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.18 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.026 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 704 _exptl_absorpt_coefficient_mu 0.058 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius KappaCCD' _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 36961 _diffrn_reflns_av_R_equivalents 0.1114 _diffrn_reflns_av_sigmaI/netI 0.0497 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 1.05 _diffrn_reflns_theta_max 22.65 _reflns_number_total 5465 _reflns_number_gt 4131 _reflns_threshold_expression I>2\s(I) _computing_data_collection 'Nonius COLLECT' _computing_cell_refinement HKL2000 _computing_data_reduction 'HKL2000, SortAV' _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. For the disordered propyl group C32A,C33A,C34A/C32B,C33B,C34B restraints were included in the refinement using SADI and ISOR instructions in SHELXL-97. ; _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^)+(0.0998P)^2^+1.2260P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens difmap _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 5465 _refine_ls_number_parameters 471 _refine_ls_number_restraints 49 _refine_ls_R_factor_all 0.0824 _refine_ls_R_factor_gt 0.0648 _refine_ls_wR_factor_ref 0.1977 _refine_ls_wR_factor_gt 0.1839 _refine_ls_goodness_of_fit_ref 1.087 _refine_ls_restrained_S_all 1.129 _refine_ls_shift/su_max 0.010 _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 N11 N -0.1158(2) 0.5988(2) 0.34370(11) 0.0363(6) Uani 1 1 d . . . N12 N -0.1667(3) 0.8630(3) 0.10230(13) 0.0502(7) Uani 1 1 d . . . C11 C -0.0434(3) 0.6237(3) 0.19317(14) 0.0366(7) Uani 1 1 d . . . C12 C -0.0530(3) 0.5054(3) 0.22611(15) 0.0385(7) Uani 1 1 d . . . C13 C -0.0688(3) 0.4000(3) 0.18981(18) 0.0479(8) Uani 1 1 d . . . H13 H -0.0725 0.3231 0.2142 0.057 Uiso 1 1 calc R . . C14 C -0.0793(3) 0.4052(4) 0.11897(19) 0.0548(9) Uani 1 1 d . . . H14 H -0.0850 0.3314 0.0942 0.066 Uiso 1 1 calc R . . C15 C -0.0813(3) 0.5185(4) 0.08534(17) 0.0520(9) Uani 1 1 d . . . H15 H -0.0952 0.5253 0.0370 0.062 Uiso 1 1 calc R . . C16 C -0.0631(3) 0.6253(3) 0.12062(15) 0.0427(8) Uani 1 1 d . . . C17 C -0.0440(3) 0.4859(3) 0.30393(15) 0.0407(7) Uani 1 1 d . . . H17A H -0.0810 0.4121 0.3171 0.049 Uiso 1 1 calc R . . H17B H 0.0523 0.4627 0.3170 0.049 Uiso 1 1 calc R . . C18 C -0.2610(3) 0.6378(3) 0.32977(15) 0.0427(8) Uani 1 1 d . . . H18A H -0.2730 0.6507 0.2793 0.051 Uiso 1 1 calc R . . H18B H -0.2995 0.7225 0.3513 0.051 Uiso 1 1 calc R . . C19 C -0.3428(3) 0.5461(4) 0.35453(18) 0.0568(9) Uani 1 1 d . . . H19A H -0.3070 0.4618 0.3333 0.085 Uiso 1 1 calc R . . H19B H -0.4373 0.5810 0.3414 0.085 Uiso 1 1 calc R . . H19C H -0.3368 0.5361 0.4048 0.085 Uiso 1 1 calc R . . C110 C -0.0856(3) 0.5715(3) 0.41759(15) 0.0471(8) Uani 1 1 d . . . H11A H 0.0134 0.5499 0.4238 0.056 Uiso 1 1 calc R . . H11B H -0.1170 0.4952 0.4324 0.056 Uiso 1 1 calc R . . C111 C -0.1514(4) 0.6838(4) 0.46338(16) 0.0585(9) Uani 1 1 d . . . H11C H -0.1288 0.7622 0.4460 0.088 Uiso 1 1 calc R . . H11D H -0.1182 0.6647 0.5106 0.088 Uiso 1 1 calc R . . H11E H -0.2495 0.6970 0.4632 0.088 Uiso 1 1 calc R . . C112 C -0.0680(3) 0.7453(4) 0.07742(15) 0.0524(9) Uani 1 1 d . . . H11F H 0.0229 0.7610 0.0765 0.063 Uiso 1 1 calc R . . H11G H -0.0908 0.7297 0.0295 0.063 Uiso 1 1 calc R . . C113 C -0.3028(3) 0.8433(4) 0.10915(18) 0.0555(9) Uani 1 1 d . . . H11H H -0.3628 0.9227 0.1285 0.067 Uiso 1 1 calc R . . H11I H -0.2990 0.7727 0.1435 0.067 Uiso 1 1 calc R . . C114 C -0.3692(4) 0.8111(4) 0.0444(2) 0.0713(11) Uani 1 1 d . . . H11J H -0.3780 0.8815 0.0103 0.107 Uiso 1 1 calc R . . H11K H -0.4588 0.8002 0.0562 0.107 Uiso 1 1 calc R . . H11L H -0.3134 0.7308 0.0251 0.107 Uiso 1 1 calc R . . C115 C -0.1637(4) 0.9718(4) 0.0539(2) 0.0730(13) Uani 1 1 d . . . H11M H -0.1883 0.9499 0.0074 0.088 Uiso 1 1 calc R . . H11N H -0.0702 0.9810 0.0511 0.088 Uiso 1 1 calc R . . C116 C -0.2562(6) 1.0990(5) 0.0736(3) 0.1032(18) Uani 1 1 d . . . H11O H -0.3501 1.0949 0.0699 0.155 Uiso 1 1 calc R . . H11P H -0.2406 1.1671 0.0425 0.155 Uiso 1 1 calc R . . H11Q H -0.2383 1.1180 0.1211 0.155 Uiso 1 1 calc R . . N21 N 0.3172(2) 0.5553(2) 0.17372(11) 0.0369(6) Uani 1 1 d . . . N22 N 0.2025(3) 0.9180(2) 0.37523(12) 0.0418(6) Uani 1 1 d . . . C21 C 0.2175(3) 0.6480(3) 0.31843(14) 0.0326(7) Uani 1 1 d . . . C22 C 0.2927(3) 0.5203(3) 0.30260(14) 0.0345(7) Uani 1 1 d . . . C23 C 0.3632(3) 0.4332(3) 0.35188(15) 0.0392(7) Uani 1 1 d . . . H23 H 0.4112 0.3490 0.3384 0.047 Uiso 1 1 calc R . . C24 C 0.3647(3) 0.4670(3) 0.41966(15) 0.0424(8) Uani 1 1 d . . . H24 H 0.4092 0.4059 0.4534 0.051 Uiso 1 1 calc R . . C25 C 0.3003(3) 0.5912(3) 0.43766(15) 0.0404(7) Uani 1 1 d . . . H25 H 0.3040 0.6173 0.4839 0.048 Uiso 1 1 calc R . . C26 C 0.2293(3) 0.6794(3) 0.38855(14) 0.0355(7) Uani 1 1 d . . . C27 C 0.2999(3) 0.4659(3) 0.22992(15) 0.0380(7) Uani 1 1 d . . . H27A H 0.3761 0.3874 0.2279 0.046 Uiso 1 1 calc R . . H27B H 0.2160 0.4394 0.2218 0.046 Uiso 1 1 calc R . . C28 C 0.3096(3) 0.4935(3) 0.10713(15) 0.0445(8) Uani 1 1 d . . . H28A H 0.2226 0.4700 0.1050 0.053 Uiso 1 1 calc R . . H28B H 0.3830 0.4128 0.1047 0.053 Uiso 1 1 calc R . . C29 C 0.3213(4) 0.5792(4) 0.04524(16) 0.0554(9) Uani 1 1 d . . . H29A H 0.2539 0.6623 0.0493 0.083 Uiso 1 1 calc R . . H29B H 0.3058 0.5372 0.0029 0.083 Uiso 1 1 calc R . . H29C H 0.4119 0.5935 0.0436 0.083 Uiso 1 1 calc R . . C210 C 0.4428(3) 0.5961(3) 0.18025(16) 0.0428(8) Uani 1 1 d . . . H21A H 0.4421 0.6343 0.2263 0.051 Uiso 1 1 calc R . . H21B H 0.4412 0.6655 0.1455 0.051 Uiso 1 1 calc R . . C211 C 0.5751(3) 0.4937(4) 0.17189(19) 0.0617(10) Uani 1 1 d . . . H21C H 0.5780 0.4227 0.2050 0.093 Uiso 1 1 calc R . . H21D H 0.6505 0.5316 0.1804 0.093 Uiso 1 1 calc R . . H21E H 0.5824 0.4608 0.1249 0.093 Uiso 1 1 calc R . . C212 C 0.1639(3) 0.8132(3) 0.41510(15) 0.0428(8) Uani 1 1 d . . . H21F H 0.0647 0.8281 0.4137 0.051 Uiso 1 1 calc R . . H21G H 0.1896 0.8170 0.4639 0.051 Uiso 1 1 calc R . . C213 C 0.3494(3) 0.8981(3) 0.37084(16) 0.0489(8) Uani 1 1 d . . . H21H H 0.3680 0.9681 0.3413 0.059 Uiso 1 1 calc R . . H21I H 0.3877 0.8159 0.3469 0.059 Uiso 1 1 calc R . . C214 C 0.4258(4) 0.8936(4) 0.43842(19) 0.0693(11) Uani 1 1 d . . . H21J H 0.3912 0.9750 0.4626 0.104 Uiso 1 1 calc R . . H21K H 0.5222 0.8810 0.4284 0.104 Uiso 1 1 calc R . . H21L H 0.4129 0.8218 0.4676 0.104 Uiso 1 1 calc R . . C215 C 0.1347(4) 1.0419(3) 0.40791(18) 0.0608(10) Uani 1 1 d . . . H21M H 0.1676 1.0406 0.4557 0.073 Uiso 1 1 calc R . . H21N H 0.0364 1.0498 0.4104 0.073 Uiso 1 1 calc R . . C216 C 0.1581(6) 1.1598(3) 0.3698(2) 0.0880(15) Uani 1 1 d . . . H21O H 0.2524 1.1618 0.3749 0.132 Uiso 1 1 calc R . . H21P H 0.0986 1.2382 0.3891 0.132 Uiso 1 1 calc R . . H21Q H 0.1384 1.1553 0.3207 0.132 Uiso 1 1 calc R . . C31 C -0.1129(3) 0.9274(3) 0.29958(16) 0.0481(8) Uani 1 1 d D . . H31A H -0.1959 0.8884 0.2882 0.050 Uiso 0.57 1 d P A 1 H31B H -0.1183 0.9154 0.3546 0.050 Uiso 0.57 1 d P B 1 H31C H -0.1421 0.8964 0.3454 0.050 Uiso 0.43 1 d P C 2 H31D H -0.0486 0.9992 0.3190 0.050 Uiso 0.43 1 d P D 2 C32A C -0.1508(7) 1.0648(5) 0.2758(3) 0.0571(16) Uani 0.57 1 d PDU E 1 H32A H -0.0737 1.1010 0.2854 0.069 Uiso 0.57 1 calc PR E 1 H32B H -0.1601 1.0655 0.2251 0.069 Uiso 0.57 1 calc PR E 1 C33A C -0.2721(7) 1.1540(5) 0.3034(3) 0.054(2) Uani 0.57 1 d PDU E 1 H33A H -0.2841 1.2373 0.2781 0.065 Uiso 0.57 1 calc PR E 1 H33B H -0.3499 1.1200 0.2919 0.065 Uiso 0.57 1 calc PR E 1 C34A C -0.2810(9) 1.1805(8) 0.3740(4) 0.067(2) Uani 0.57 1 d PDU E 1 H34A H -0.2731 1.1001 0.4006 0.100 Uiso 0.57 1 calc PR E 1 H34B H -0.3682 1.2411 0.3842 0.100 Uiso 0.57 1 calc PR E 1 H34C H -0.2080 1.2188 0.3866 0.100 Uiso 0.57 1 calc PR E 1 C32B C -0.2437(8) 1.0034(8) 0.2748(4) 0.070(3) Uani 0.43 1 d PDU E 2 H32C H -0.2286 1.0322 0.2272 0.084 Uiso 0.43 1 calc PR E 2 H32D H -0.3014 0.9428 0.2711 0.084 Uiso 0.43 1 calc PR E 2 C33B C -0.3227(12) 1.1141(12) 0.3093(6) 0.109(5) Uani 0.43 1 d PDU E 2 H33C H -0.2971 1.1886 0.2873 0.130 Uiso 0.43 1 calc PR E 2 H33D H -0.4169 1.1217 0.2955 0.130 Uiso 0.43 1 calc PR E 2 C34B C -0.3296(17) 1.1379(13) 0.3790(6) 0.106(5) Uani 0.43 1 d PDU E 2 H34D H -0.3713 1.0766 0.4031 0.158 Uiso 0.43 1 calc PR E 2 H34E H -0.3839 1.2262 0.3868 0.158 Uiso 0.43 1 calc PR E 2 H34F H -0.2383 1.1279 0.3966 0.158 Uiso 0.43 1 calc PR E 2 C41 C 0.1419(3) 0.8926(3) 0.16841(16) 0.0445(8) Uani 1 1 d . . . H41A H 0.0760 0.9766 0.1414 0.050 Uiso 1 1 d . . . H41B H 0.1969 0.8401 0.1229 0.050 Uiso 1 1 d . . . C42 C 0.2395(4) 0.9642(3) 0.19478(18) 0.0596(10) Uani 1 1 d . E . H42A H 0.3358 0.8962 0.2204 0.050 Uiso 1 1 d . . . H42B H 0.1840 1.0270 0.2374 0.050 Uiso 1 1 d . . . C43 C 0.2925(4) 1.0485(4) 0.14244(19) 0.0699(11) Uani 1 1 d . . . H43A H 0.2095 1.1431 0.1310 0.050 Uiso 1 1 d . . . H43B H 0.3418 0.9904 0.0993 0.050 Uiso 1 1 d . . . C44 C 0.3837(6) 1.1146(5) 0.1762(3) 0.0980(16) Uani 1 1 d . E . H44A H 0.3325 1.1747 0.2103 0.147 Uiso 1 1 calc R . . H44B H 0.4225 1.1625 0.1414 0.147 Uiso 1 1 calc R . . H44C H 0.4564 1.0504 0.1993 0.147 Uiso 1 1 calc R . . Li1 Li -0.0232(5) 0.7169(4) 0.2954(2) 0.0392(11) Uani 1 1 d . E . Li2 Li 0.1581(5) 0.6935(4) 0.2040(2) 0.0385(11) Uani 1 1 d . E . Li3 Li -0.0656(5) 0.8611(5) 0.1942(3) 0.0451(12) Uani 1 1 d . E . Li4 Li 0.1191(5) 0.8751(5) 0.2835(2) 0.0433(12) Uani 1 1 d . E . 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 N11 0.0362(14) 0.0405(14) 0.0308(13) 0.0035(11) -0.0011(10) -0.0079(11) N12 0.0545(18) 0.0608(18) 0.0388(15) 0.0177(13) -0.0072(12) -0.0223(14) C11 0.0291(16) 0.0427(18) 0.0376(17) -0.0049(13) 0.0010(12) -0.0080(13) C12 0.0269(16) 0.0411(18) 0.0464(18) -0.0059(14) 0.0016(13) -0.0062(13) C13 0.0409(19) 0.0409(18) 0.063(2) -0.0134(16) 0.0053(15) -0.0123(15) C14 0.045(2) 0.059(2) 0.064(2) -0.0323(19) 0.0090(16) -0.0184(17) C15 0.041(2) 0.079(3) 0.0392(18) -0.0262(18) 0.0070(14) -0.0202(18) C16 0.0301(17) 0.063(2) 0.0361(17) -0.0073(15) 0.0059(13) -0.0135(15) C17 0.0358(17) 0.0346(17) 0.0521(19) 0.0050(14) -0.0008(14) -0.0104(13) C18 0.0400(18) 0.0526(19) 0.0349(16) 0.0026(14) 0.0032(13) -0.0116(15) C19 0.043(2) 0.076(2) 0.055(2) 0.0073(18) -0.0010(16) -0.0218(18) C110 0.049(2) 0.058(2) 0.0375(18) 0.0124(15) -0.0075(14) -0.0199(16) C111 0.073(3) 0.074(2) 0.0304(17) 0.0006(16) -0.0008(16) -0.023(2) C112 0.048(2) 0.086(3) 0.0302(17) 0.0007(17) -0.0002(14) -0.0287(19) C113 0.041(2) 0.066(2) 0.057(2) 0.0205(17) -0.0072(16) -0.0112(17) C114 0.059(2) 0.094(3) 0.068(3) 0.020(2) -0.0220(19) -0.033(2) C115 0.083(3) 0.092(3) 0.058(2) 0.039(2) -0.027(2) -0.049(3) C116 0.138(5) 0.077(3) 0.104(4) 0.054(3) -0.047(3) -0.047(3) N21 0.0361(14) 0.0413(14) 0.0343(13) -0.0053(11) 0.0022(10) -0.0117(11) N22 0.0561(17) 0.0302(14) 0.0369(14) -0.0031(11) -0.0076(12) -0.0067(12) C21 0.0302(16) 0.0332(16) 0.0346(16) 0.0008(12) 0.0007(12) -0.0085(13) C22 0.0295(16) 0.0351(17) 0.0399(17) 0.0016(13) 0.0029(12) -0.0105(13) C23 0.0361(17) 0.0307(16) 0.0487(19) 0.0071(14) 0.0020(14) -0.0057(13) C24 0.0394(18) 0.0427(19) 0.0430(19) 0.0175(15) -0.0035(14) -0.0082(14) C25 0.0418(18) 0.048(2) 0.0324(16) 0.0060(14) -0.0025(13) -0.0139(15) C26 0.0330(16) 0.0380(17) 0.0357(17) 0.0020(13) 0.0005(13) -0.0100(13) C27 0.0342(17) 0.0313(16) 0.0462(18) -0.0033(13) 0.0019(13) -0.0043(13) C28 0.0387(18) 0.0523(19) 0.0406(18) -0.0111(15) -0.0020(14) -0.0072(15) C29 0.056(2) 0.071(2) 0.0380(18) -0.0079(16) 0.0001(15) -0.0124(18) C210 0.0385(18) 0.0547(19) 0.0369(17) -0.0042(14) 0.0054(13) -0.0153(15) C211 0.036(2) 0.090(3) 0.057(2) -0.0125(19) 0.0043(16) -0.0136(18) C212 0.0491(19) 0.0458(19) 0.0316(16) -0.0033(14) -0.0060(13) -0.0086(15) C213 0.060(2) 0.0450(19) 0.0476(19) 0.0000(15) -0.0102(16) -0.0227(16) C214 0.068(3) 0.081(3) 0.062(2) -0.001(2) -0.023(2) -0.025(2) C215 0.086(3) 0.041(2) 0.049(2) -0.0111(16) -0.0193(18) -0.0032(18) C216 0.158(5) 0.033(2) 0.063(3) -0.0047(18) -0.025(3) -0.007(2) C31 0.055(2) 0.0398(18) 0.0436(18) 0.0003(14) 0.0024(15) -0.0022(15) C32A 0.065(4) 0.049(3) 0.047(3) 0.002(3) 0.004(3) 0.004(3) C33A 0.061(5) 0.040(3) 0.053(4) 0.013(3) -0.006(3) 0.000(3) C34A 0.062(5) 0.049(4) 0.081(5) -0.014(4) 0.012(4) -0.001(4) C32B 0.057(5) 0.069(5) 0.069(5) -0.023(4) -0.023(4) 0.011(4) C33B 0.062(7) 0.120(9) 0.115(9) -0.058(7) -0.038(6) 0.034(6) C34B 0.108(9) 0.101(9) 0.083(7) 0.026(6) 0.016(6) 0.014(7) C41 0.051(2) 0.0414(18) 0.0434(18) 0.0043(14) 0.0008(14) -0.0156(15) C42 0.077(3) 0.057(2) 0.050(2) -0.0018(17) 0.0021(18) -0.0266(19) C43 0.095(3) 0.068(2) 0.061(2) -0.0035(19) 0.016(2) -0.048(2) C44 0.115(4) 0.090(3) 0.104(4) -0.019(3) 0.019(3) -0.053(3) Li1 0.044(3) 0.035(3) 0.038(3) 0.000(2) 0.002(2) -0.008(2) Li2 0.041(3) 0.036(3) 0.037(3) 0.000(2) 0.002(2) -0.008(2) Li3 0.043(3) 0.048(3) 0.041(3) 0.005(2) -0.003(2) -0.006(2) Li4 0.056(3) 0.038(3) 0.038(3) -0.001(2) -0.004(2) -0.014(2) _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 N11 C18 1.467(4) . ? N11 C17 1.472(4) . ? N11 C110 1.478(4) . ? N11 Li1 1.982(5) . ? N12 C113 1.469(4) . ? N12 C112 1.483(4) . ? N12 C115 1.488(4) . ? N12 Li3 2.074(6) . ? C11 C16 1.424(4) . ? C11 C12 1.433(4) . ? C11 Li1 2.276(6) . ? C11 Li2 2.388(6) . ? C11 Li3 2.497(6) . ? C12 C13 1.392(4) . ? C12 C17 1.520(4) . ? C12 Li1 2.748(6) . ? C13 C14 1.379(5) . ? C13 H13 0.9500 . ? C14 C15 1.362(5) . ? C14 H14 0.9500 . ? C15 C16 1.401(5) . ? C15 H15 0.9500 . ? C16 C112 1.510(5) . ? C17 Li1 2.543(5) . ? C17 H17A 0.9900 . ? C17 H17B 0.9900 . ? C18 C19 1.515(4) . ? C18 H18A 0.9900 . ? C18 H18B 0.9900 . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C19 H19C 0.9800 . ? C110 C111 1.517(5) . ? C110 H11A 0.9900 . ? C110 H11B 0.9900 . ? C111 H11C 0.9800 . ? C111 H11D 0.9800 . ? C111 H11E 0.9800 . ? C112 Li3 2.612(6) . ? C112 H11F 0.9900 . ? C112 H11G 0.9900 . ? C113 C114 1.526(5) . ? C113 H11H 0.9900 . ? C113 H11I 0.9900 . ? C114 H11J 0.9800 . ? C114 H11K 0.9800 . ? C114 H11L 0.9800 . ? C115 C116 1.499(7) . ? C115 H11M 0.9900 . ? C115 H11N 0.9900 . ? C116 H11O 0.9800 . ? C116 H11P 0.9800 . ? C116 H11Q 0.9800 . ? N21 C210 1.472(4) . ? N21 C28 1.477(4) . ? N21 C27 1.474(4) . ? N21 Li2 1.991(5) . ? N22 C213 1.468(4) . ? N22 C215 1.482(4) . ? N22 C212 1.483(4) . ? N22 Li4 2.097(5) . ? C21 C22 1.424(4) . ? C21 C26 1.423(4) . ? C21 Li2 2.318(5) . ? C21 Li1 2.432(6) . ? C21 Li4 2.466(5) . ? C22 C23 1.393(4) . ? C22 C27 1.532(4) . ? C22 Li2 2.757(5) . ? C23 C24 1.373(4) . ? C23 H23 0.9500 . ? C24 C25 1.374(4) . ? C24 H24 0.9500 . ? C25 C26 1.399(4) . ? C25 H25 0.9500 . ? C26 C212 1.515(4) . ? C27 Li2 2.540(5) . ? C27 H27A 0.9900 . ? C27 H27B 0.9900 . ? C28 C29 1.518(5) . ? C28 H28A 0.9900 . ? C28 H28B 0.9900 . ? C29 H29A 0.9800 . ? C29 H29B 0.9800 . ? C29 H29C 0.9800 . ? C210 C211 1.517(5) . ? C210 H21A 0.9900 . ? C210 H21B 0.9900 . ? C211 H21C 0.9800 . ? C211 H21D 0.9800 . ? C211 H21E 0.9800 . ? C212 Li4 2.640(6) . ? C212 H21F 0.9900 . ? C212 H21G 0.9900 . ? C213 C214 1.531(5) . ? C213 H21H 0.9900 . ? C213 H21I 0.9900 . ? C214 H21J 0.9800 . ? C214 H21K 0.9800 . ? C214 H21L 0.9800 . ? C215 C216 1.521(5) . ? C215 H21M 0.9900 . ? C215 H21N 0.9900 . ? C216 H21O 0.9800 . ? C216 H21P 0.9800 . ? C216 H21Q 0.9800 . ? C31 C32B 1.460(7) . ? C31 C32A 1.488(6) . ? C31 Li3 2.185(6) . ? C31 Li1 2.209(5) . ? C31 Li4 2.317(6) . ? C31 H31A 1.0696 . ? C31 H31B 1.0744 . ? C31 H31C 1.0101 . ? C31 H31D 1.2063 . ? C32A C33A 1.461(6) . ? C32A Li3 2.677(7) . ? C32A H32A 0.9900 . ? C32A H32B 0.9900 . ? C33A C34A 1.402(6) . ? C33A H33A 0.9900 . ? C33A H33B 0.9900 . ? C34A H34A 0.9800 . ? C34A H34B 0.9800 . ? C34A H34C 0.9800 . ? C32B C33B 1.427(7) . ? C32B Li3 2.585(9) . ? C32B H31A 1.2266 . ? C32B H32C 0.9900 . ? C32B H32D 0.9900 . ? C33B C34B 1.378(8) . ? C33B H33C 0.9900 . ? C33B H33D 0.9900 . ? C34B H34D 0.9800 . ? C34B H34E 0.9800 . ? C34B H34F 0.9800 . ? C41 C42 1.512(5) . ? C41 Li2 2.195(5) . ? C41 Li4 2.249(6) . ? C41 Li3 2.286(6) . ? C41 H41A 1.1028 . ? C41 H41B 1.1213 . ? C42 C43 1.530(5) . ? C42 Li4 2.423(6) . ? C42 H42A 1.1744 . ? C42 H42B 1.1283 . ? C43 C44 1.481(6) . ? C43 H43A 1.1626 . ? C43 H43B 1.0911 . ? C44 H44A 0.9800 . ? C44 H44B 0.9800 . ? C44 H44C 0.9800 . ? Li1 Li3 2.443(7) . ? Li1 Li4 2.515(7) . ? Li1 Li2 2.517(7) . ? Li1 H31A 2.2016 . ? Li1 H31C 2.2286 . ? Li2 Li4 2.458(7) . ? Li2 Li3 2.528(7) . ? Li2 H41B 2.3022 . ? Li3 Li4 2.622(7) . ? Li3 H31A 2.2231 . ? Li4 H31D 2.0053 . ? Li4 H42B 2.0914 . ? 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 C18 N11 C17 112.7(2) . . ? C18 N11 C110 112.9(2) . . ? C17 N11 C110 108.7(2) . . ? C18 N11 Li1 110.5(2) . . ? C17 N11 Li1 93.6(2) . . ? C110 N11 Li1 116.9(2) . . ? C113 N12 C112 111.5(3) . . ? C113 N12 C115 111.8(3) . . ? C112 N12 C115 108.3(3) . . ? C113 N12 Li3 115.3(2) . . ? C112 N12 Li3 93.0(2) . . ? C115 N12 Li3 115.3(3) . . ? C16 C11 C12 112.9(3) . . ? C16 C11 Li1 153.8(2) . . ? C12 C11 Li1 92.8(2) . . ? C16 C11 Li2 103.7(2) . . ? C12 C11 Li2 119.7(2) . . ? Li1 C11 Li2 65.26(18) . . ? C16 C11 Li3 92.4(2) . . ? C12 C11 Li3 151.7(2) . . ? Li1 C11 Li3 61.37(17) . . ? Li2 C11 Li3 62.26(18) . . ? C13 C12 C11 123.0(3) . . ? C13 C12 C17 115.2(3) . . ? C11 C12 C17 121.8(2) . . ? C13 C12 Li1 178.8(3) . . ? C11 C12 Li1 55.82(17) . . ? C17 C12 Li1 66.00(18) . . ? C14 C13 C12 121.1(3) . . ? C14 C13 H13 119.5 . . ? C12 C13 H13 119.5 . . ? C15 C14 C13 118.5(3) . . ? C15 C14 H14 120.8 . . ? C13 C14 H14 120.8 . . ? C14 C15 C16 121.4(3) . . ? C14 C15 H15 119.3 . . ? C16 C15 H15 119.3 . . ? C15 C16 C11 122.9(3) . . ? C15 C16 C112 116.2(3) . . ? C11 C16 C112 120.9(3) . . ? N11 C17 C12 114.7(2) . . ? N11 C17 Li1 51.09(16) . . ? C12 C17 Li1 80.89(19) . . ? N11 C17 H17A 108.6 . . ? C12 C17 H17A 108.6 . . ? Li1 C17 H17A 159.3 . . ? N11 C17 H17B 108.6 . . ? C12 C17 H17B 108.6 . . ? Li1 C17 H17B 85.7 . . ? H17A C17 H17B 107.6 . . ? N11 C18 C19 116.7(3) . . ? N11 C18 H18A 108.1 . . ? C19 C18 H18A 108.1 . . ? N11 C18 H18B 108.1 . . ? C19 C18 H18B 108.1 . . ? H18A C18 H18B 107.3 . . ? C18 C19 H19A 109.5 . . ? C18 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C18 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? N11 C110 C111 113.2(3) . . ? N11 C110 H11A 108.9 . . ? C111 C110 H11A 108.9 . . ? N11 C110 H11B 108.9 . . ? C111 C110 H11B 108.9 . . ? H11A C110 H11B 107.8 . . ? C110 C111 H11C 109.5 . . ? C110 C111 H11D 109.5 . . ? H11C C111 H11D 109.5 . . ? C110 C111 H11E 109.5 . . ? H11C C111 H11E 109.5 . . ? H11D C111 H11E 109.5 . . ? N12 C112 C16 114.2(2) . . ? N12 C112 Li3 52.46(18) . . ? C16 C112 Li3 86.1(2) . . ? N12 C112 H11F 108.7 . . ? C16 C112 H11F 108.7 . . ? Li3 C112 H11F 78.1 . . ? N12 C112 H11G 108.7 . . ? C16 C112 H11G 108.7 . . ? Li3 C112 H11G 160.6 . . ? H11F C112 H11G 107.6 . . ? N12 C113 C114 117.9(3) . . ? N12 C113 H11H 107.8 . . ? C114 C113 H11H 107.8 . . ? N12 C113 H11I 107.8 . . ? C114 C113 H11I 107.8 . . ? H11H C113 H11I 107.2 . . ? C113 C114 H11J 109.5 . . ? C113 C114 H11K 109.5 . . ? H11J C114 H11K 109.5 . . ? C113 C114 H11L 109.5 . . ? H11J C114 H11L 109.5 . . ? H11K C114 H11L 109.5 . . ? N12 C115 C116 114.4(3) . . ? N12 C115 H11M 108.7 . . ? C116 C115 H11M 108.7 . . ? N12 C115 H11N 108.7 . . ? C116 C115 H11N 108.7 . . ? H11M C115 H11N 107.6 . . ? C115 C116 H11O 109.5 . . ? C115 C116 H11P 109.5 . . ? H11O C116 H11P 109.5 . . ? C115 C116 H11Q 109.5 . . ? H11O C116 H11Q 109.5 . . ? H11P C116 H11Q 109.5 . . ? C210 N21 C28 112.3(2) . . ? C210 N21 C27 112.3(2) . . ? C28 N21 C27 108.6(2) . . ? C210 N21 Li2 111.0(2) . . ? C28 N21 Li2 118.1(2) . . ? C27 N21 Li2 93.1(2) . . ? C213 N22 C215 112.1(3) . . ? C213 N22 C212 112.2(2) . . ? C215 N22 C212 107.7(2) . . ? C213 N22 Li4 113.0(2) . . ? C215 N22 Li4 116.9(2) . . ? C212 N22 Li4 93.4(2) . . ? C22 C21 C26 113.0(2) . . ? C22 C21 Li2 91.7(2) . . ? C26 C21 Li2 154.8(2) . . ? C22 C21 Li1 120.1(2) . . ? C26 C21 Li1 104.8(2) . . ? Li2 C21 Li1 63.94(18) . . ? C22 C21 Li4 150.6(2) . . ? C26 C21 Li4 93.1(2) . . ? Li2 C21 Li4 61.75(17) . . ? Li1 C21 Li4 61.78(17) . . ? C23 C22 C21 123.1(3) . . ? C23 C22 C27 114.2(2) . . ? C21 C22 C27 122.7(2) . . ? C23 C22 Li2 178.8(2) . . ? C21 C22 Li2 57.17(17) . . ? C27 C22 Li2 65.56(17) . . ? C24 C23 C22 121.1(3) . . ? C24 C23 H23 119.4 . . ? C22 C23 H23 119.4 . . ? C23 C24 C25 118.6(3) . . ? C23 C24 H24 120.7 . . ? C25 C24 H24 120.7 . . ? C24 C25 C26 120.6(3) . . ? C24 C25 H25 119.7 . . ? C26 C25 H25 119.7 . . ? C25 C26 C21 123.3(3) . . ? C25 C26 C212 115.2(2) . . ? C21 C26 C212 121.4(2) . . ? N21 C27 C22 115.1(2) . . ? N21 C27 Li2 51.49(16) . . ? C22 C27 Li2 81.14(19) . . ? N21 C27 H27A 108.5 . . ? C22 C27 H27A 108.5 . . ? Li2 C27 H27A 159.6 . . ? N21 C27 H27B 108.5 . . ? C22 C27 H27B 108.5 . . ? Li2 C27 H27B 85.4 . . ? H27A C27 H27B 107.5 . . ? N21 C28 C29 113.2(3) . . ? N21 C28 H28A 108.9 . . ? C29 C28 H28A 108.9 . . ? N21 C28 H28B 108.9 . . ? C29 C28 H28B 108.9 . . ? H28A C28 H28B 107.8 . . ? C28 C29 H29A 109.5 . . ? C28 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C28 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? N21 C210 C211 117.5(3) . . ? N21 C210 H21A 107.9 . . ? C211 C210 H21A 107.9 . . ? N21 C210 H21B 107.9 . . ? C211 C210 H21B 107.9 . . ? H21A C210 H21B 107.2 . . ? C210 C211 H21C 109.5 . . ? C210 C211 H21D 109.5 . . ? H21C C211 H21D 109.5 . . ? C210 C211 H21E 109.5 . . ? H21C C211 H21E 109.5 . . ? H21D C211 H21E 109.5 . . ? N22 C212 C26 113.6(2) . . ? N22 C212 Li4 52.46(16) . . ? C26 C212 Li4 84.36(19) . . ? N22 C212 H21F 108.8 . . ? C26 C212 H21F 108.8 . . ? Li4 C212 H21F 79.4 . . ? N22 C212 H21G 108.8 . . ? C26 C212 H21G 108.8 . . ? Li4 C212 H21G 161.1 . . ? H21F C212 H21G 107.7 . . ? N22 C213 C214 117.6(3) . . ? N22 C213 H21H 107.9 . . ? C214 C213 H21H 107.9 . . ? N22 C213 H21I 107.9 . . ? C214 C213 H21I 107.9 . . ? H21H C213 H21I 107.2 . . ? C213 C214 H21J 109.5 . . ? C213 C214 H21K 109.5 . . ? H21J C214 H21K 109.5 . . ? C213 C214 H21L 109.5 . . ? H21J C214 H21L 109.5 . . ? H21K C214 H21L 109.5 . . ? N22 C215 C216 113.7(3) . . ? N22 C215 H21M 108.8 . . ? C216 C215 H21M 108.8 . . ? N22 C215 H21N 108.8 . . ? C216 C215 H21N 108.8 . . ? H21M C215 H21N 107.7 . . ? C215 C216 H21O 109.5 . . ? C215 C216 H21P 109.5 . . ? H21O C216 H21P 109.5 . . ? C215 C216 H21Q 109.5 . . ? H21O C216 H21Q 109.5 . . ? H21P C216 H21Q 109.5 . . ? C32B C31 Li3 88.0(4) . . ? C32A C31 Li3 91.6(3) . . ? C32B C31 Li1 129.2(4) . . ? C32A C31 Li1 158.3(3) . . ? Li3 C31 Li1 67.6(2) . . ? C32B C31 Li4 146.3(5) . . ? C32A C31 Li4 101.1(3) . . ? Li3 C31 Li4 71.2(2) . . ? Li1 C31 Li4 67.47(19) . . ? C32A C31 H31A 106.9 . . ? Li3 C31 H31A 78.0 . . ? Li1 C31 H31A 75.6 . . ? Li4 C31 H31A 138.5 . . ? C32A C31 H31B 113.5 . . ? Li3 C31 H31B 154.8 . . ? Li1 C31 H31B 87.2 . . ? Li4 C31 H31B 100.1 . . ? H31A C31 H31B 96.2 . . ? C32B C31 H31C 99.4 . . ? Li3 C31 H31C 140.2 . . ? Li1 C31 H31C 77.9 . . ? Li4 C31 H31C 113.7 . . ? C32B C31 H31D 109.3 . . ? Li3 C31 H31D 114.2 . . ? Li1 C31 H31D 121.2 . . ? Li4 C31 H31D 59.9 . . ? H31C C31 H31D 100.2 . . ? C33A C32A C31 120.0(5) . . ? C33A C32A Li3 143.1(5) . . ? C31 C32A Li3 54.7(2) . . ? C33A C32A H31D 120.9 . . ? C31 C32A H31D 49.5 . . ? Li3 C32A H31D 84.7 . . ? C33A C32A H32A 107.3 . . ? C31 C32A H32A 107.3 . . ? Li3 C32A H32A 108.8 . . ? H31D C32A H32A 59.7 . . ? C33A C32A H32B 107.3 . . ? C31 C32A H32B 107.3 . . ? Li3 C32A H32B 54.2 . . ? H31D C32A H32B 131.7 . . ? H32A C32A H32B 106.9 . . ? C34A C33A C32A 119.6(5) . . ? C34A C33A H33A 107.4 . . ? C32A C33A H33A 107.4 . . ? C34A C33A H33B 107.4 . . ? C32A C33A H33B 107.4 . . ? H33A C33A H33B 107.0 . . ? C33B C32B C31 123.2(6) . . ? C33B C32B Li3 160.8(10) . . ? C31 C32B Li3 57.6(3) . . ? C33B C32B H31A 137.3 . . ? C31 C32B H31A 45.9 . . ? Li3 C32B H31A 59.2 . . ? C33B C32B H32C 106.5 . . ? C31 C32B H32C 106.5 . . ? Li3 C32B H32C 58.7 . . ? H31A C32B H32C 116.1 . . ? C33B C32B H32D 106.5 . . ? C31 C32B H32D 106.5 . . ? Li3 C32B H32D 90.3 . . ? H31A C32B H32D 60.7 . . ? H32C C32B H32D 106.5 . . ? C34B C33B C32B 128.1(9) . . ? C34B C33B H33C 105.3 . . ? C32B C33B H33C 105.3 . . ? C34B C33B H33D 105.3 . . ? C32B C33B H33D 105.3 . . ? H33C C33B H33D 106.0 . . ? C33B C34B H34D 109.5 . . ? C33B C34B H34E 109.5 . . ? H34D C34B H34E 109.5 . . ? C33B C34B H34F 109.5 . . ? H34D C34B H34F 109.5 . . ? H34E C34B H34F 109.5 . . ? C42 C41 Li2 119.7(3) . . ? C42 C41 Li4 77.5(2) . . ? Li2 C41 Li4 67.15(19) . . ? C42 C41 Li3 140.1(3) . . ? Li2 C41 Li3 68.6(2) . . ? Li4 C41 Li3 70.6(2) . . ? C42 C41 H41A 95.7 . . ? Li2 C41 H41A 143.8 . . ? Li4 C41 H41A 118.3 . . ? Li3 C41 H41A 79.5 . . ? C42 C41 H41B 103.1 . . ? Li2 C41 H41B 81.0 . . ? Li4 C41 H41B 142.2 . . ? Li3 C41 H41B 116.8 . . ? H41A C41 H41B 99.4 . . ? C41 C42 C43 116.8(3) . . ? C41 C42 Li4 65.0(2) . . ? C43 C42 Li4 167.3(3) . . ? C41 C42 H42A 113.5 . . ? C43 C42 H42A 105.5 . . ? Li4 C42 H42A 84.0 . . ? C41 C42 H42B 105.7 . . ? C43 C42 H42B 109.0 . . ? Li4 C42 H42B 59.6 . . ? H42A C42 H42B 105.8 . . ? C44 C43 C42 110.5(3) . . ? C44 C43 H43A 94.4 . . ? C42 C43 H43A 109.9 . . ? C44 C43 H43B 112.0 . . ? C42 C43 H43B 110.1 . . ? H43A C43 H43B 118.9 . . ? C43 C44 H44A 109.5 . . ? C43 C44 H44B 109.5 . . ? H44A C44 H44B 109.5 . . ? C43 C44 H44C 109.5 . . ? H44A C44 H44C 109.5 . . ? H44B C44 H44C 109.5 . . ? N11 Li1 C31 119.1(2) . . ? N11 Li1 C11 90.2(2) . . ? C31 Li1 C11 115.8(2) . . ? N11 Li1 C21 109.7(2) . . ? C31 Li1 C21 114.9(2) . . ? C11 Li1 C21 103.8(2) . . ? N11 Li1 Li3 136.5(3) . . ? C31 Li1 Li3 55.75(18) . . ? C11 Li1 Li3 63.78(18) . . ? C21 Li1 Li3 110.2(2) . . ? N11 Li1 Li4 156.9(3) . . ? C31 Li1 Li4 58.32(18) . . ? C11 Li1 Li4 111.8(2) . . ? C21 Li1 Li4 59.77(17) . . ? Li3 Li1 Li4 63.8(2) . . ? N11 Li1 Li2 135.6(3) . . ? C31 Li1 Li2 103.9(2) . . ? C11 Li1 Li2 59.52(17) . . ? C21 Li1 Li2 55.82(16) . . ? Li3 Li1 Li2 61.25(19) . . ? Li4 Li1 Li2 58.49(19) . . ? N11 Li1 C17 35.28(12) . . ? C31 Li1 C17 151.1(3) . . ? C11 Li1 C17 64.49(15) . . ? C21 Li1 C17 91.81(18) . . ? Li3 Li1 C17 127.1(2) . . ? Li4 Li1 C17 150.5(3) . . ? Li2 Li1 C17 100.3(2) . . ? N11 Li1 C12 61.86(15) . . ? C31 Li1 C12 139.9(2) . . ? C11 Li1 C12 31.39(11) . . ? C21 Li1 C12 99.75(18) . . ? Li3 Li1 C12 94.6(2) . . ? Li4 Li1 C12 137.0(2) . . ? Li2 Li1 C12 78.57(18) . . ? C17 Li1 C12 33.11(11) . . ? N11 Li1 H31A 98.3 . . ? C31 Li1 H31A 28.1 . . ? C11 Li1 H31A 99.9 . . ? C21 Li1 H31A 142.9 . . ? Li3 Li1 H31A 56.9 . . ? Li4 Li1 H31A 85.1 . . ? Li2 Li1 H31A 117.2 . . ? C17 Li1 H31A 124.3 . . ? C12 Li1 H31A 115.0 . . ? N11 Li1 H31C 96.0 . . ? C31 Li1 H31C 26.3 . . ? C11 Li1 H31C 133.0 . . ? C21 Li1 H31C 117.5 . . ? Li3 Li1 H31C 80.7 . . ? Li4 Li1 H31C 74.4 . . ? Li2 Li1 H31C 128.4 . . ? C17 Li1 H31C 131.1 . . ? C12 Li1 H31C 141.9 . . ? H31A Li1 H31C 33.1 . . ? N21 Li2 C41 118.5(2) . . ? N21 Li2 C21 90.6(2) . . ? C41 Li2 C21 115.8(2) . . ? N21 Li2 C11 110.1(2) . . ? C41 Li2 C11 114.8(2) . . ? C21 Li2 C11 103.9(2) . . ? N21 Li2 Li4 135.7(3) . . ? C41 Li2 Li4 57.49(18) . . ? C21 Li2 Li4 62.09(17) . . ? C11 Li2 Li4 110.0(2) . . ? N21 Li2 Li1 136.4(2) . . ? C41 Li2 Li1 103.9(2) . . ? C21 Li2 Li1 60.25(17) . . ? C11 Li2 Li1 55.22(17) . . ? Li4 Li2 Li1 60.7(2) . . ? N21 Li2 Li3 157.7(3) . . ? C41 Li2 Li3 57.39(18) . . ? C21 Li2 Li3 111.1(2) . . ? C11 Li2 Li3 60.99(18) . . ? Li4 Li2 Li3 63.4(2) . . ? Li1 Li2 Li3 57.95(19) . . ? N21 Li2 C27 35.43(12) . . ? C41 Li2 C27 150.3(3) . . ? C21 Li2 C27 64.36(15) . . ? C11 Li2 C27 92.59(18) . . ? Li4 Li2 C27 125.3(2) . . ? Li1 Li2 C27 101.0(2) . . ? Li3 Li2 C27 152.2(2) . . ? N21 Li2 C22 62.18(15) . . ? C41 Li2 C22 139.0(2) . . ? C21 Li2 C22 31.08(11) . . ? C11 Li2 C22 100.75(18) . . ? Li4 Li2 C22 92.5(2) . . ? Li1 Li2 C22 79.55(17) . . ? Li3 Li2 C22 137.1(2) . . ? C27 Li2 C22 33.30(10) . . ? N21 Li2 H41B 93.2 . . ? C41 Li2 H41B 28.7 . . ? C21 Li2 H41B 134.2 . . ? C11 Li2 H41B 117.3 . . ? Li4 Li2 H41B 84.7 . . ? Li1 Li2 H41B 130.4 . . ? Li3 Li2 H41B 75.6 . . ? C27 Li2 H41B 128.4 . . ? C22 Li2 H41B 140.5 . . ? N12 Li3 C31 138.0(3) . . ? N12 Li3 C41 107.9(2) . . ? C31 Li3 C41 106.1(2) . . ? N12 Li3 Li1 134.3(3) . . ? C31 Li3 Li1 56.67(18) . . ? C41 Li3 Li1 103.5(2) . . ? N12 Li3 C11 84.1(2) . . ? C31 Li3 C11 108.3(2) . . ? C41 Li3 C11 107.6(2) . . ? Li1 Li3 C11 54.84(17) . . ? N12 Li3 Li2 115.5(3) . . ? C31 Li3 Li2 104.3(2) . . ? C41 Li3 Li2 53.96(17) . . ? Li1 Li3 Li2 60.80(19) . . ? C11 Li3 Li2 56.74(17) . . ? N12 Li3 C32B 104.2(3) . . ? C31 Li3 C32B 34.36(19) . . ? C41 Li3 C32B 125.3(3) . . ? Li1 Li3 C32B 82.9(3) . . ? C11 Li3 C32B 118.9(3) . . ? Li2 Li3 C32B 138.4(3) . . ? N12 Li3 C112 34.55(13) . . ? C31 Li3 C112 162.0(3) . . ? C41 Li3 C112 91.0(2) . . ? Li1 Li3 C112 114.6(2) . . ? C11 Li3 C112 59.90(15) . . ? Li2 Li3 C112 81.1(2) . . ? C32B Li3 C112 136.2(3) . . ? N12 Li3 Li4 161.9(3) . . ? C31 Li3 Li4 56.76(18) . . ? C41 Li3 Li4 54.03(17) . . ? Li1 Li3 Li4 59.41(19) . . ? C11 Li3 Li4 101.7(2) . . ? Li2 Li3 Li4 56.99(19) . . ? C32B Li3 Li4 88.2(3) . . ? C112 Li3 Li4 135.6(2) . . ? N12 Li3 C32A 117.4(3) . . ? C31 Li3 C32A 33.75(16) . . ? C41 Li3 C32A 96.9(2) . . ? Li1 Li3 C32A 90.3(2) . . ? C11 Li3 C32A 140.7(2) . . ? Li2 Li3 C32A 125.4(3) . . ? C32B Li3 C32A 28.4(3) . . ? C112 Li3 C32A 151.4(3) . . ? Li4 Li3 C32A 68.5(2) . . ? N12 Li3 H31A 115.0 . . ? C31 Li3 H31A 28.1 . . ? C41 Li3 H31A 134.0 . . ? Li1 Li3 H31A 56.1 . . ? C11 Li3 H31A 92.9 . . ? Li2 Li3 H31A 116.0 . . ? C32B Li3 H31A 28.3 . . ? C112 Li3 H31A 134.2 . . ? Li4 Li3 H31A 82.2 . . ? C32A Li3 H31A 48.9 . . ? N22 Li4 C41 140.8(3) . . ? N22 Li4 C31 107.0(2) . . ? C41 Li4 C31 103.0(2) . . ? N22 Li4 C42 103.4(2) . . ? C41 Li4 C42 37.54(14) . . ? C31 Li4 C42 126.0(2) . . ? N22 Li4 Li2 137.3(3) . . ? C41 Li4 Li2 55.36(17) . . ? C31 Li4 Li2 102.5(2) . . ? C42 Li4 Li2 82.6(2) . . ? N22 Li4 C21 84.75(19) . . ? C41 Li4 C21 108.3(2) . . ? C31 Li4 C21 109.8(2) . . ? C42 Li4 C21 116.7(2) . . ? Li2 Li4 C21 56.15(16) . . ? N22 Li4 Li1 115.6(2) . . ? C41 Li4 Li1 102.3(2) . . ? C31 Li4 Li1 54.21(17) . . ? C42 Li4 Li1 139.2(2) . . ? Li2 Li4 Li1 60.79(19) . . ? C21 Li4 Li1 58.45(16) . . ? N22 Li4 Li3 158.9(3) . . ? C41 Li4 Li3 55.35(18) . . ? C31 Li4 Li3 52.07(17) . . ? C42 Li4 Li3 90.3(2) . . ? Li2 Li4 Li3 59.57(19) . . ? C21 Li4 Li3 103.5(2) . . ? Li1 Li4 Li3 56.76(19) . . ? N22 Li4 C212 34.12(12) . . ? C41 Li4 C212 163.5(3) . . ? C31 Li4 C212 92.4(2) . . ? C42 Li4 C212 134.0(2) . . ? Li2 Li4 C212 116.0(2) . . ? C21 Li4 C212 60.14(14) . . ? Li1 Li4 C212 81.91(19) . . ? Li3 Li4 C212 135.7(2) . . ? N22 Li4 H31D 83.5 . . ? C41 Li4 H31D 112.1 . . ? C31 Li4 H31D 31.4 . . ? C42 Li4 H31D 114.5 . . ? Li2 Li4 H31D 133.0 . . ? C21 Li4 H31D 128.8 . . ? Li1 Li4 H31D 82.9 . . ? Li3 Li4 H31D 76.2 . . ? C212 Li4 H31D 84.1 . . ? N22 Li4 H42B 87.0 . . ? C41 Li4 H42B 58.3 . . ? C31 Li4 H42B 112.1 . . ? C42 Li4 H42B 27.7 . . ? Li2 Li4 H42B 109.7 . . ? C21 Li4 H42B 137.9 . . ? Li1 Li4 H42B 155.5 . . ? Li3 Li4 H42B 98.8 . . ? C212 Li4 H42B 121.1 . . ? H31D Li4 H42B 90.8 . . ? 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 C16 C11 C12 C13 5.0(4) . . . . ? Li1 C11 C12 C13 179.6(3) . . . . ? Li2 C11 C12 C13 -117.4(3) . . . . ? Li3 C11 C12 C13 156.7(4) . . . . ? C16 C11 C12 C17 -176.1(2) . . . . ? Li1 C11 C12 C17 -1.5(3) . . . . ? Li2 C11 C12 C17 61.5(3) . . . . ? Li3 C11 C12 C17 -24.4(6) . . . . ? C16 C11 C12 Li1 -174.7(3) . . . . ? Li2 C11 C12 Li1 63.0(2) . . . . ? Li3 C11 C12 Li1 -22.9(4) . . . . ? C11 C12 C13 C14 -1.5(5) . . . . ? C17 C12 C13 C14 179.5(3) . . . . ? C12 C13 C14 C15 -3.5(5) . . . . ? C13 C14 C15 C16 4.7(5) . . . . ? C14 C15 C16 C11 -0.8(5) . . . . ? C14 C15 C16 C112 -179.8(3) . . . . ? C12 C11 C16 C15 -3.8(4) . . . . ? Li1 C11 C16 C15 -171.7(4) . . . . ? Li2 C11 C16 C15 127.1(3) . . . . ? Li3 C11 C16 C15 -170.9(3) . . . . ? C12 C11 C16 C112 175.1(3) . . . . ? Li1 C11 C16 C112 7.2(7) . . . . ? Li2 C11 C16 C112 -54.0(3) . . . . ? Li3 C11 C16 C112 8.0(3) . . . . ? C18 N11 C17 C12 60.5(3) . . . . ? C110 N11 C17 C12 -173.5(2) . . . . ? Li1 N11 C17 C12 -53.5(3) . . . . ? C18 N11 C17 Li1 114.0(3) . . . . ? C110 N11 C17 Li1 -120.0(3) . . . . ? C13 C12 C17 N11 -140.4(3) . . . . ? C11 C12 C17 N11 40.6(4) . . . . ? Li1 C12 C17 N11 39.3(2) . . . . ? C13 C12 C17 Li1 -179.7(3) . . . . ? C11 C12 C17 Li1 1.3(3) . . . . ? C17 N11 C18 C19 68.1(3) . . . . ? C110 N11 C18 C19 -55.6(4) . . . . ? Li1 N11 C18 C19 171.4(3) . . . . ? C18 N11 C110 C111 -56.0(3) . . . . ? C17 N11 C110 C111 178.2(3) . . . . ? Li1 N11 C110 C111 73.9(3) . . . . ? C113 N12 C112 C16 -54.8(3) . . . . ? C115 N12 C112 C16 -178.2(3) . . . . ? Li3 N12 C112 C16 63.9(3) . . . . ? C113 N12 C112 Li3 -118.7(3) . . . . ? C115 N12 C112 Li3 117.9(3) . . . . ? C15 C16 C112 N12 125.7(3) . . . . ? C11 C16 C112 N12 -53.2(4) . . . . ? C15 C16 C112 Li3 171.3(3) . . . . ? C11 C16 C112 Li3 -7.7(3) . . . . ? C112 N12 C113 C114 -61.1(4) . . . . ? C115 N12 C113 C114 60.3(4) . . . . ? Li3 N12 C113 C114 -165.5(3) . . . . ? C113 N12 C115 C116 58.4(4) . . . . ? C112 N12 C115 C116 -178.4(3) . . . . ? Li3 N12 C115 C116 -75.9(4) . . . . ? C26 C21 C22 C23 3.7(4) . . . . ? Li2 C21 C22 C23 178.6(3) . . . . ? Li1 C21 C22 C23 -120.7(3) . . . . ? Li4 C21 C22 C23 154.1(4) . . . . ? C26 C21 C22 C27 -177.8(2) . . . . ? Li2 C21 C22 C27 -2.9(3) . . . . ? Li1 C21 C22 C27 57.7(3) . . . . ? Li4 C21 C22 C27 -27.4(6) . . . . ? C26 C21 C22 Li2 -174.9(3) . . . . ? Li1 C21 C22 Li2 60.6(2) . . . . ? Li4 C21 C22 Li2 -24.5(4) . . . . ? C21 C22 C23 C24 -0.4(4) . . . . ? C27 C22 C23 C24 -179.0(3) . . . . ? C22 C23 C24 C25 -3.1(4) . . . . ? C23 C24 C25 C26 3.0(4) . . . . ? C24 C25 C26 C21 0.6(4) . . . . ? C24 C25 C26 C212 -179.6(3) . . . . ? C22 C21 C26 C25 -3.8(4) . . . . ? Li2 C21 C26 C25 -171.7(4) . . . . ? Li1 C21 C26 C25 128.6(3) . . . . ? Li4 C21 C26 C25 -169.8(3) . . . . ? C22 C21 C26 C212 176.3(2) . . . . ? Li2 C21 C26 C212 8.4(7) . . . . ? Li1 C21 C26 C212 -51.2(3) . . . . ? Li4 C21 C26 C212 10.4(3) . . . . ? C210 N21 C27 C22 60.4(3) . . . . ? C28 N21 C27 C22 -174.8(2) . . . . ? Li2 N21 C27 C22 -53.8(3) . . . . ? C210 N21 C27 Li2 114.2(3) . . . . ? C28 N21 C27 Li2 -121.0(3) . . . . ? C23 C22 C27 N21 -139.0(3) . . . . ? C21 C22 C27 N21 42.4(4) . . . . ? Li2 C22 C27 N21 39.7(2) . . . . ? C23 C22 C27 Li2 -178.7(2) . . . . ? C21 C22 C27 Li2 2.7(3) . . . . ? C210 N21 C28 C29 -57.3(3) . . . . ? C27 N21 C28 C29 178.0(2) . . . . ? Li2 N21 C28 C29 73.9(3) . . . . ? C28 N21 C210 C211 -56.4(3) . . . . ? C27 N21 C210 C211 66.3(3) . . . . ? Li2 N21 C210 C211 169.0(3) . . . . ? C213 N22 C212 C26 -54.7(3) . . . . ? C215 N22 C212 C26 -178.5(3) . . . . ? Li4 N22 C212 C26 61.9(3) . . . . ? C213 N22 C212 Li4 -116.5(3) . . . . ? C215 N22 C212 Li4 119.7(3) . . . . ? C25 C26 C212 N22 125.8(3) . . . . ? C21 C26 C212 N22 -54.4(4) . . . . ? C25 C26 C212 Li4 170.4(3) . . . . ? C21 C26 C212 Li4 -9.7(3) . . . . ? C215 N22 C213 C214 60.1(4) . . . . ? C212 N22 C213 C214 -61.2(3) . . . . ? Li4 N22 C213 C214 -165.3(3) . . . . ? C213 N22 C215 C216 59.7(4) . . . . ? C212 N22 C215 C216 -176.5(3) . . . . ? Li4 N22 C215 C216 -73.1(4) . . . . ? C32B C31 C32A C33A 50.0(7) . . . . ? Li3 C31 C32A C33A 136.2(6) . . . . ? Li1 C31 C32A C33A 151.7(8) . . . . ? Li4 C31 C32A C33A -152.7(6) . . . . ? C32B C31 C32A Li3 -86.2(5) . . . . ? Li1 C31 C32A Li3 15.5(9) . . . . ? Li4 C31 C32A Li3 71.1(2) . . . . ? C31 C32A C33A C34A 62.7(10) . . . . ? Li3 C32A C33A C34A 132.7(7) . . . . ? C32A C31 C32B C33B -63.6(12) . . . . ? Li3 C31 C32B C33B -157.1(12) . . . . ? Li1 C31 C32B C33B 144.3(11) . . . . ? Li4 C31 C32B C33B -106.5(12) . . . . ? C32A C31 C32B Li3 93.6(4) . . . . ? Li1 C31 C32B Li3 -58.6(4) . . . . ? Li4 C31 C32B Li3 50.7(6) . . . . ? C31 C32B C33B C34B -31(3) . . . . ? Li3 C32B C33B C34B -117(2) . . . . ? Li2 C41 C42 C43 139.8(3) . . . . ? Li4 C41 C42 C43 -166.0(3) . . . . ? Li3 C41 C42 C43 -128.7(4) . . . . ? Li2 C41 C42 Li4 -54.2(3) . . . . ? Li3 C41 C42 Li4 37.3(4) . . . . ? C41 C42 C43 C44 178.5(4) . . . . ? Li4 C42 C43 C44 83.3(14) . . . . ? C18 N11 Li1 C31 45.4(3) . . . . ? C17 N11 Li1 C31 161.3(3) . . . . ? C110 N11 Li1 C31 -85.6(3) . . . . ? C18 N11 Li1 C11 -74.6(2) . . . . ? C17 N11 Li1 C11 41.3(2) . . . . ? C110 N11 Li1 C11 154.4(2) . . . . ? C18 N11 Li1 C21 -179.3(2) . . . . ? C17 N11 Li1 C21 -63.5(2) . . . . ? C110 N11 Li1 C21 49.7(3) . . . . ? C18 N11 Li1 Li3 -24.2(4) . . . . ? C17 N11 Li1 Li3 91.7(4) . . . . ? C110 N11 Li1 Li3 -155.2(3) . . . . ? C18 N11 Li1 Li4 122.3(7) . . . . ? C17 N11 Li1 Li4 -121.8(7) . . . . ? C110 N11 Li1 Li4 -8.7(8) . . . . ? C18 N11 Li1 Li2 -118.5(4) . . . . ? C17 N11 Li1 Li2 -2.7(4) . . . . ? C110 N11 Li1 Li2 110.5(4) . . . . ? C18 N11 Li1 C17 -115.9(3) . . . . ? C110 N11 Li1 C17 113.1(3) . . . . ? C18 N11 Li1 C12 -88.6(2) . . . . ? C17 N11 Li1 C12 27.28(15) . . . . ? C110 N11 Li1 C12 140.4(2) . . . . ? C32B C31 Li1 N11 -61.3(6) . . . . ? C32A C31 Li1 N11 -145.5(9) . . . . ? Li3 C31 Li1 N11 -128.7(3) . . . . ? Li4 C31 Li1 N11 153.3(3) . . . . ? C32B C31 Li1 C11 44.6(6) . . . . ? C32A C31 Li1 C11 -39.6(11) . . . . ? Li3 C31 Li1 C11 -22.7(2) . . . . ? Li4 C31 Li1 C11 -100.8(3) . . . . ? C32B C31 Li1 C21 165.6(6) . . . . ? C32A C31 Li1 C21 81.4(10) . . . . ? Li3 C31 Li1 C21 98.3(3) . . . . ? Li4 C31 Li1 C21 20.2(2) . . . . ? C32B C31 Li1 Li3 67.4(6) . . . . ? C32A C31 Li1 Li3 -16.8(10) . . . . ? Li4 C31 Li1 Li3 -78.1(2) . . . . ? C32B C31 Li1 Li4 145.4(6) . . . . ? C32A C31 Li1 Li4 61.2(10) . . . . ? Li3 C31 Li1 Li4 78.1(2) . . . . ? C32B C31 Li1 Li2 107.2(6) . . . . ? C32A C31 Li1 Li2 23.0(11) . . . . ? Li3 C31 Li1 Li2 39.8(2) . . . . ? Li4 C31 Li1 Li2 -38.2(2) . . . . ? C32B C31 Li1 C17 -38.8(8) . . . . ? C32A C31 Li1 C17 -123.0(10) . . . . ? Li3 C31 Li1 C17 -106.1(5) . . . . ? Li4 C31 Li1 C17 175.8(5) . . . . ? C32B C31 Li1 C12 18.5(7) . . . . ? C32A C31 Li1 C12 -65.7(11) . . . . ? Li3 C31 Li1 C12 -48.8(4) . . . . ? Li4 C31 Li1 C12 -126.9(4) . . . . ? C16 C11 Li1 N11 144.7(5) . . . . ? C12 C11 Li1 N11 -24.1(2) . . . . ? Li2 C11 Li1 N11 -145.7(2) . . . . ? Li3 C11 Li1 N11 143.7(2) . . . . ? C16 C11 Li1 C31 21.8(7) . . . . ? C12 C11 Li1 C31 -147.0(3) . . . . ? Li2 C11 Li1 C31 91.5(3) . . . . ? Li3 C11 Li1 C31 20.9(2) . . . . ? C16 C11 Li1 C21 -105.0(5) . . . . ? C12 C11 Li1 C21 86.2(2) . . . . ? Li2 C11 Li1 C21 -35.37(18) . . . . ? Li3 C11 Li1 C21 -106.0(2) . . . . ? C16 C11 Li1 Li3 0.9(6) . . . . ? C12 C11 Li1 Li3 -167.9(2) . . . . ? Li2 C11 Li1 Li3 70.6(2) . . . . ? C16 C11 Li1 Li4 -42.4(6) . . . . ? C12 C11 Li1 Li4 148.8(2) . . . . ? Li2 C11 Li1 Li4 27.2(2) . . . . ? Li3 C11 Li1 Li4 -43.4(2) . . . . ? C16 C11 Li1 Li2 -69.6(5) . . . . ? C12 C11 Li1 Li2 121.5(2) . . . . ? Li3 C11 Li1 Li2 -70.6(2) . . . . ? C16 C11 Li1 C17 169.6(5) . . . . ? C12 C11 Li1 C17 0.82(17) . . . . ? Li2 C11 Li1 C17 -120.73(19) . . . . ? Li3 C11 Li1 C17 168.7(2) . . . . ? C16 C11 Li1 C12 168.8(6) . . . . ? Li2 C11 Li1 C12 -121.5(2) . . . . ? Li3 C11 Li1 C12 167.9(2) . . . . ? C22 C21 Li1 N11 56.5(3) . . . . ? C26 C21 Li1 N11 -71.8(3) . . . . ? Li2 C21 Li1 N11 132.4(3) . . . . ? Li4 C21 Li1 N11 -157.2(3) . . . . ? C22 C21 Li1 C31 -166.2(2) . . . . ? C26 C21 Li1 C31 65.6(3) . . . . ? Li2 C21 Li1 C31 -90.3(3) . . . . ? Li4 C21 Li1 C31 -19.9(2) . . . . ? C22 C21 Li1 C11 -38.8(3) . . . . ? C26 C21 Li1 C11 -167.1(2) . . . . ? Li2 C21 Li1 C11 37.09(19) . . . . ? Li4 C21 Li1 C11 107.5(2) . . . . ? C22 C21 Li1 Li3 -105.5(3) . . . . ? C26 C21 Li1 Li3 126.2(2) . . . . ? Li2 C21 Li1 Li3 -29.7(2) . . . . ? Li4 C21 Li1 Li3 40.7(2) . . . . ? C22 C21 Li1 Li4 -146.3(3) . . . . ? C26 C21 Li1 Li4 85.5(2) . . . . ? Li2 C21 Li1 Li4 -70.4(2) . . . . ? C22 C21 Li1 Li2 -75.9(3) . . . . ? C26 C21 Li1 Li2 155.9(2) . . . . ? Li4 C21 Li1 Li2 70.4(2) . . . . ? C22 C21 Li1 C17 25.4(3) . . . . ? C26 C21 Li1 C17 -102.9(2) . . . . ? Li2 C21 Li1 C17 101.2(2) . . . . ? Li4 C21 Li1 C17 171.6(2) . . . . ? C22 C21 Li1 C12 -7.0(3) . . . . ? C26 C21 Li1 C12 -135.2(2) . . . . ? Li2 C21 Li1 C12 68.91(19) . . . . ? Li4 C21 Li1 C12 139.3(2) . . . . ? C12 C17 Li1 N11 132.3(3) . . . . ? N11 C17 Li1 C31 -35.4(5) . . . . ? C12 C17 Li1 C31 96.8(5) . . . . ? N11 C17 Li1 C11 -133.1(2) . . . . ? C12 C17 Li1 C11 -0.78(16) . . . . ? N11 C17 Li1 C21 122.5(2) . . . . ? C12 C17 Li1 C21 -105.2(2) . . . . ? N11 C17 Li1 Li3 -120.3(3) . . . . ? C12 C17 Li1 Li3 12.0(3) . . . . ? N11 C17 Li1 Li4 137.3(5) . . . . ? C12 C17 Li1 Li4 -90.4(5) . . . . ? N11 C17 Li1 Li2 178.1(3) . . . . ? C12 C17 Li1 Li2 -49.6(2) . . . . ? N11 C17 Li1 C12 -132.3(3) . . . . ? C11 C12 Li1 N11 152.4(3) . . . . ? C17 C12 Li1 N11 -28.99(17) . . . . ? C11 C12 Li1 C31 49.5(4) . . . . ? C17 C12 Li1 C31 -131.8(4) . . . . ? C17 C12 Li1 C11 178.6(3) . . . . ? C11 C12 Li1 C21 -100.5(2) . . . . ? C17 C12 Li1 C21 78.2(2) . . . . ? C11 C12 Li1 Li3 10.9(2) . . . . ? C17 C12 Li1 Li3 -170.4(3) . . . . ? C11 C12 Li1 Li4 -44.8(3) . . . . ? C17 C12 Li1 Li4 133.8(4) . . . . ? C11 C12 Li1 Li2 -48.5(2) . . . . ? C17 C12 Li1 Li2 130.1(2) . . . . ? C11 C12 Li1 C17 -178.6(3) . . . . ? C210 N21 Li2 C41 45.3(3) . . . . ? C28 N21 Li2 C41 -86.4(3) . . . . ? C27 N21 Li2 C41 160.6(3) . . . . ? C210 N21 Li2 C21 -74.8(2) . . . . ? C28 N21 Li2 C21 153.5(2) . . . . ? C27 N21 Li2 C21 40.5(2) . . . . ? C210 N21 Li2 C11 -179.8(2) . . . . ? C28 N21 Li2 C11 48.5(3) . . . . ? C27 N21 Li2 C11 -64.5(2) . . . . ? C210 N21 Li2 Li4 -26.1(4) . . . . ? C28 N21 Li2 Li4 -157.8(3) . . . . ? C27 N21 Li2 Li4 89.2(4) . . . . ? C210 N21 Li2 Li1 -119.6(4) . . . . ? C28 N21 Li2 Li1 108.7(4) . . . . ? C27 N21 Li2 Li1 -4.3(4) . . . . ? C210 N21 Li2 Li3 118.3(7) . . . . ? C28 N21 Li2 Li3 -13.5(8) . . . . ? C27 N21 Li2 Li3 -126.5(7) . . . . ? C210 N21 Li2 C27 -115.3(3) . . . . ? C28 N21 Li2 C27 113.0(3) . . . . ? C210 N21 Li2 C22 -88.0(2) . . . . ? C28 N21 Li2 C22 140.3(2) . . . . ? C27 N21 Li2 C22 27.31(15) . . . . ? C42 C41 Li2 N21 -69.0(4) . . . . ? Li4 C41 Li2 N21 -128.3(3) . . . . ? Li3 C41 Li2 N21 154.5(3) . . . . ? C42 C41 Li2 C21 36.9(4) . . . . ? Li4 C41 Li2 C21 -22.4(2) . . . . ? Li3 C41 Li2 C21 -99.6(3) . . . . ? C42 C41 Li2 C11 158.0(3) . . . . ? Li4 C41 Li2 C11 98.8(3) . . . . ? Li3 C41 Li2 C11 21.6(2) . . . . ? C42 C41 Li2 Li4 59.3(3) . . . . ? Li3 C41 Li2 Li4 -77.2(2) . . . . ? C42 C41 Li2 Li1 100.3(3) . . . . ? Li4 C41 Li2 Li1 41.0(2) . . . . ? Li3 C41 Li2 Li1 -36.2(2) . . . . ? C42 C41 Li2 Li3 136.5(3) . . . . ? Li4 C41 Li2 Li3 77.2(2) . . . . ? C42 C41 Li2 C27 -46.1(6) . . . . ? Li4 C41 Li2 C27 -105.4(5) . . . . ? Li3 C41 Li2 C27 177.4(5) . . . . ? C42 C41 Li2 C22 10.3(5) . . . . ? Li4 C41 Li2 C22 -49.0(3) . . . . ? Li3 C41 Li2 C22 -126.2(4) . . . . ? C22 C21 Li2 N21 -23.0(2) . . . . ? C26 C21 Li2 N21 145.9(5) . . . . ? Li1 C21 Li2 N21 -145.9(2) . . . . ? Li4 C21 Li2 N21 143.6(2) . . . . ? C22 C21 Li2 C41 -145.3(3) . . . . ? C26 C21 Li2 C41 23.6(7) . . . . ? Li1 C21 Li2 C41 91.7(3) . . . . ? Li4 C21 Li2 C41 21.3(2) . . . . ? C22 C21 Li2 C11 87.8(2) . . . . ? C26 C21 Li2 C11 -103.3(5) . . . . ? Li1 C21 Li2 C11 -35.10(18) . . . . ? Li4 C21 Li2 C11 -105.5(2) . . . . ? C22 C21 Li2 Li4 -166.6(2) . . . . ? C26 C21 Li2 Li4 2.3(6) . . . . ? Li1 C21 Li2 Li4 70.4(2) . . . . ? C22 C21 Li2 Li1 122.9(2) . . . . ? C26 C21 Li2 Li1 -68.2(5) . . . . ? Li4 C21 Li2 Li1 -70.4(2) . . . . ? C22 C21 Li2 Li3 151.7(2) . . . . ? C26 C21 Li2 Li3 -39.4(6) . . . . ? Li1 C21 Li2 Li3 28.8(2) . . . . ? Li4 C21 Li2 Li3 -41.6(2) . . . . ? C22 C21 Li2 C27 1.66(16) . . . . ? C26 C21 Li2 C27 170.5(5) . . . . ? Li1 C21 Li2 C27 -121.26(19) . . . . ? Li4 C21 Li2 C27 168.3(2) . . . . ? C26 C21 Li2 C22 168.9(6) . . . . ? Li1 C21 Li2 C22 -122.9(2) . . . . ? Li4 C21 Li2 C22 166.6(2) . . . . ? C16 C11 Li2 N21 -72.0(3) . . . . ? C12 C11 Li2 N21 54.8(3) . . . . ? Li1 C11 Li2 N21 133.2(3) . . . . ? Li3 C11 Li2 N21 -157.5(3) . . . . ? C16 C11 Li2 C41 64.8(3) . . . . ? C12 C11 Li2 C41 -168.5(2) . . . . ? Li1 C11 Li2 C41 -90.0(3) . . . . ? Li3 C11 Li2 C41 -20.8(2) . . . . ? C16 C11 Li2 C21 -167.8(2) . . . . ? C12 C11 Li2 C21 -41.0(3) . . . . ? Li1 C11 Li2 C21 37.43(19) . . . . ? Li3 C11 Li2 C21 106.7(2) . . . . ? C16 C11 Li2 Li4 127.2(3) . . . . ? C12 C11 Li2 Li4 -106.0(3) . . . . ? Li1 C11 Li2 Li4 -27.5(2) . . . . ? Li3 C11 Li2 Li4 41.7(2) . . . . ? C16 C11 Li2 Li1 154.8(3) . . . . ? C12 C11 Li2 Li1 -78.4(3) . . . . ? Li3 C11 Li2 Li1 69.3(2) . . . . ? C16 C11 Li2 Li3 85.5(2) . . . . ? C12 C11 Li2 Li3 -147.7(3) . . . . ? Li1 C11 Li2 Li3 -69.3(2) . . . . ? C16 C11 Li2 C27 -103.6(2) . . . . ? C12 C11 Li2 C27 23.2(3) . . . . ? Li1 C11 Li2 C27 101.6(2) . . . . ? Li3 C11 Li2 C27 170.9(2) . . . . ? C16 C11 Li2 C22 -136.1(2) . . . . ? C12 C11 Li2 C22 -9.3(3) . . . . ? Li1 C11 Li2 C22 69.11(19) . . . . ? Li3 C11 Li2 C22 138.4(2) . . . . ? N11 Li1 Li2 N21 -29.3(6) . . . . ? C31 Li1 Li2 N21 165.1(3) . . . . ? C11 Li1 Li2 N21 -82.9(4) . . . . ? C21 Li1 Li2 N21 54.3(3) . . . . ? Li3 Li1 Li2 N21 -157.7(4) . . . . ? Li4 Li1 Li2 N21 127.0(4) . . . . ? C17 Li1 Li2 N21 -30.9(4) . . . . ? C12 Li1 Li2 N21 -56.0(4) . . . . ? N11 Li1 Li2 C41 164.4(3) . . . . ? C31 Li1 Li2 C41 -1.2(3) . . . . ? C11 Li1 Li2 C41 110.8(2) . . . . ? C21 Li1 Li2 C41 -112.0(2) . . . . ? Li3 Li1 Li2 C41 35.9(2) . . . . ? Li4 Li1 Li2 C41 -39.4(2) . . . . ? C17 Li1 Li2 C41 162.8(2) . . . . ? C12 Li1 Li2 C41 137.7(2) . . . . ? N11 Li1 Li2 C21 -83.6(4) . . . . ? C31 Li1 Li2 C21 110.8(2) . . . . ? C11 Li1 Li2 C21 -137.2(2) . . . . ? Li3 Li1 Li2 C21 148.0(2) . . . . ? Li4 Li1 Li2 C21 72.69(19) . . . . ? C17 Li1 Li2 C21 -85.14(19) . . . . ? C12 Li1 Li2 C21 -110.26(17) . . . . ? N11 Li1 Li2 C11 53.6(3) . . . . ? C31 Li1 Li2 C11 -112.0(2) . . . . ? C21 Li1 Li2 C11 137.2(2) . . . . ? Li3 Li1 Li2 C11 -74.8(2) . . . . ? Li4 Li1 Li2 C11 -150.1(2) . . . . ? C17 Li1 Li2 C11 52.05(17) . . . . ? C12 Li1 Li2 C11 26.92(12) . . . . ? N11 Li1 Li2 Li4 -156.3(4) . . . . ? C31 Li1 Li2 Li4 38.2(2) . . . . ? C11 Li1 Li2 Li4 150.1(2) . . . . ? C21 Li1 Li2 Li4 -72.69(19) . . . . ? Li3 Li1 Li2 Li4 75.3(2) . . . . ? C17 Li1 Li2 Li4 -157.8(2) . . . . ? C12 Li1 Li2 Li4 177.0(2) . . . . ? N11 Li1 Li2 Li3 128.4(4) . . . . ? C31 Li1 Li2 Li3 -37.1(2) . . . . ? C11 Li1 Li2 Li3 74.8(2) . . . . ? C21 Li1 Li2 Li3 -148.0(2) . . . . ? Li4 Li1 Li2 Li3 -75.3(2) . . . . ? C17 Li1 Li2 Li3 126.9(2) . . . . ? C12 Li1 Li2 Li3 101.7(2) . . . . ? N11 Li1 Li2 C27 -31.8(4) . . . . ? C31 Li1 Li2 C27 162.6(2) . . . . ? C11 Li1 Li2 C27 -85.45(19) . . . . ? C21 Li1 Li2 C27 51.74(16) . . . . ? Li3 Li1 Li2 C27 -160.3(3) . . . . ? Li4 Li1 Li2 C27 124.4(2) . . . . ? C17 Li1 Li2 C27 -33.4(2) . . . . ? C12 Li1 Li2 C27 -58.52(18) . . . . ? N11 Li1 Li2 C22 -57.4(4) . . . . ? C31 Li1 Li2 C22 137.0(2) . . . . ? C11 Li1 Li2 C22 -111.04(17) . . . . ? C21 Li1 Li2 C22 26.15(11) . . . . ? Li3 Li1 Li2 C22 174.1(2) . . . . ? Li4 Li1 Li2 C22 98.8(2) . . . . ? C17 Li1 Li2 C22 -58.99(18) . . . . ? C12 Li1 Li2 C22 -84.11(14) . . . . ? C22 C27 Li2 N21 132.3(3) . . . . ? N21 C27 Li2 C41 -36.3(5) . . . . ? C22 C27 Li2 C41 96.1(5) . . . . ? N21 C27 Li2 C21 -133.9(2) . . . . ? C22 C27 Li2 C21 -1.56(15) . . . . ? N21 C27 Li2 C11 121.9(2) . . . . ? C22 C27 Li2 C11 -105.7(2) . . . . ? N21 C27 Li2 Li4 -121.2(3) . . . . ? C22 C27 Li2 Li4 11.1(3) . . . . ? N21 C27 Li2 Li1 177.0(3) . . . . ? C22 C27 Li2 Li1 -50.7(2) . . . . ? N21 C27 Li2 Li3 139.1(6) . . . . ? C22 C27 Li2 Li3 -88.5(5) . . . . ? N21 C27 Li2 C22 -132.3(3) . . . . ? C21 C22 Li2 N21 153.7(3) . . . . ? C27 C22 Li2 N21 -28.98(17) . . . . ? C21 C22 Li2 C41 51.4(4) . . . . ? C27 C22 Li2 C41 -131.4(4) . . . . ? C27 C22 Li2 C21 177.3(3) . . . . ? C21 C22 Li2 C11 -99.1(2) . . . . ? C27 C22 Li2 C11 78.2(2) . . . . ? C21 C22 Li2 Li4 11.8(2) . . . . ? C27 C22 Li2 Li4 -170.9(2) . . . . ? C21 C22 Li2 Li1 -47.8(2) . . . . ? C27 C22 Li2 Li1 129.5(2) . . . . ? C21 C22 Li2 Li3 -40.5(3) . . . . ? C27 C22 Li2 Li3 136.8(4) . . . . ? C21 C22 Li2 C27 -177.3(3) . . . . ? C113 N12 Li3 C31 -37.7(5) . . . . ? C112 N12 Li3 C31 -153.2(4) . . . . ? C115 N12 Li3 C31 94.9(5) . . . . ? C113 N12 Li3 C41 179.7(2) . . . . ? C112 N12 Li3 C41 64.2(3) . . . . ? C115 N12 Li3 C41 -47.6(4) . . . . ? C113 N12 Li3 Li1 48.7(5) . . . . ? C112 N12 Li3 Li1 -66.9(4) . . . . ? C115 N12 Li3 Li1 -178.7(4) . . . . ? C113 N12 Li3 C11 73.1(3) . . . . ? C112 N12 Li3 C11 -42.4(2) . . . . ? C115 N12 Li3 C11 -154.3(3) . . . . ? C113 N12 Li3 Li2 121.8(3) . . . . ? C112 N12 Li3 Li2 6.3(3) . . . . ? C115 N12 Li3 Li2 -105.6(3) . . . . ? C113 N12 Li3 C32B -45.2(4) . . . . ? C112 N12 Li3 C32B -160.8(3) . . . . ? C115 N12 Li3 C32B 87.4(4) . . . . ? C113 N12 Li3 C112 115.5(3) . . . . ? C115 N12 Li3 C112 -111.8(3) . . . . ? C113 N12 Li3 Li4 -177.2(8) . . . . ? C112 N12 Li3 Li4 67.3(9) . . . . ? C115 N12 Li3 Li4 -44.5(10) . . . . ? C113 N12 Li3 C32A -72.2(4) . . . . ? C112 N12 Li3 C32A 172.3(3) . . . . ? C115 N12 Li3 C32A 60.4(4) . . . . ? C32B C31 Li3 N12 -13.0(6) . . . . ? C32A C31 Li3 N12 -64.9(5) . . . . ? Li1 C31 Li3 N12 121.3(4) . . . . ? Li4 C31 Li3 N12 -166.0(4) . . . . ? C32B C31 Li3 C41 130.0(5) . . . . ? C32A C31 Li3 C41 78.1(4) . . . . ? Li1 C31 Li3 C41 -95.7(2) . . . . ? Li4 C31 Li3 C41 -23.0(2) . . . . ? C32B C31 Li3 Li1 -134.3(5) . . . . ? C32A C31 Li3 Li1 173.9(4) . . . . ? Li4 C31 Li3 Li1 72.7(2) . . . . ? C32B C31 Li3 C11 -114.8(5) . . . . ? C32A C31 Li3 C11 -166.6(3) . . . . ? Li1 C31 Li3 C11 19.5(2) . . . . ? Li4 C31 Li3 C11 92.2(2) . . . . ? C32B C31 Li3 Li2 -174.0(5) . . . . ? C32A C31 Li3 Li2 134.2(4) . . . . ? Li1 C31 Li3 Li2 -39.7(2) . . . . ? Li4 C31 Li3 Li2 33.0(2) . . . . ? C32A C31 Li3 C32B -51.9(5) . . . . ? Li1 C31 Li3 C32B 134.3(5) . . . . ? Li4 C31 Li3 C32B -153.0(5) . . . . ? C32B C31 Li3 C112 -68.6(10) . . . . ? C32A C31 Li3 C112 -120.5(9) . . . . ? Li1 C31 Li3 C112 65.7(8) . . . . ? Li4 C31 Li3 C112 138.4(8) . . . . ? C32B C31 Li3 Li4 153.0(5) . . . . ? C32A C31 Li3 Li4 101.1(3) . . . . ? Li1 C31 Li3 Li4 -72.7(2) . . . . ? C32B C31 Li3 C32A 51.9(5) . . . . ? Li1 C31 Li3 C32A -173.9(4) . . . . ? Li4 C31 Li3 C32A -101.1(3) . . . . ? C42 C41 Li3 N12 140.0(4) . . . . ? Li2 C41 Li3 N12 -108.9(3) . . . . ? Li4 C41 Li3 N12 178.8(3) . . . . ? C42 C41 Li3 C31 -15.0(5) . . . . ? Li2 C41 Li3 C31 96.1(2) . . . . ? Li4 C41 Li3 C31 23.9(2) . . . . ? C42 C41 Li3 Li1 -73.7(4) . . . . ? Li2 C41 Li3 Li1 37.4(2) . . . . ? Li4 C41 Li3 Li1 -34.9(2) . . . . ? C42 C41 Li3 C11 -130.7(4) . . . . ? Li2 C41 Li3 C11 -19.6(2) . . . . ? Li4 C41 Li3 C11 -91.8(2) . . . . ? C42 C41 Li3 Li2 -111.1(4) . . . . ? Li4 C41 Li3 Li2 -72.3(2) . . . . ? C42 C41 Li3 C32B 17.0(6) . . . . ? Li2 C41 Li3 C32B 128.1(4) . . . . ? Li4 C41 Li3 C32B 55.9(3) . . . . ? C42 C41 Li3 C112 170.7(4) . . . . ? Li2 C41 Li3 C112 -78.2(2) . . . . ? Li4 C41 Li3 C112 -150.5(2) . . . . ? C42 C41 Li3 Li4 -38.9(4) . . . . ? Li2 C41 Li3 Li4 72.3(2) . . . . ? C42 C41 Li3 C32A 18.2(4) . . . . ? Li2 C41 Li3 C32A 129.3(2) . . . . ? Li4 C41 Li3 C32A 57.1(2) . . . . ? N11 Li1 Li3 N12 -29.0(6) . . . . ? C31 Li1 Li3 N12 -127.0(4) . . . . ? C11 Li1 Li3 N12 30.2(3) . . . . ? C21 Li1 Li3 N12 126.1(3) . . . . ? Li4 Li1 Li3 N12 165.0(4) . . . . ? Li2 Li1 Li3 N12 98.2(4) . . . . ? C17 Li1 Li3 N12 17.4(5) . . . . ? C12 Li1 Li3 N12 23.9(4) . . . . ? N11 Li1 Li3 C31 97.9(4) . . . . ? C11 Li1 Li3 C31 157.2(2) . . . . ? C21 Li1 Li3 C31 -107.0(2) . . . . ? Li4 Li1 Li3 C31 -68.1(2) . . . . ? Li2 Li1 Li3 C31 -134.8(3) . . . . ? C17 Li1 Li3 C31 144.3(3) . . . . ? C12 Li1 Li3 C31 150.9(2) . . . . ? N11 Li1 Li3 C41 -161.5(3) . . . . ? C31 Li1 Li3 C41 100.6(2) . . . . ? C11 Li1 Li3 C41 -102.2(2) . . . . ? C21 Li1 Li3 C41 -6.4(3) . . . . ? Li4 Li1 Li3 C41 32.5(2) . . . . ? Li2 Li1 Li3 C41 -34.2(2) . . . . ? C17 Li1 Li3 C41 -115.1(3) . . . . ? C12 Li1 Li3 C41 -108.5(2) . . . . ? N11 Li1 Li3 C11 -59.2(3) . . . . ? C31 Li1 Li3 C11 -157.2(2) . . . . ? C21 Li1 Li3 C11 95.8(2) . . . . ? Li4 Li1 Li3 C11 134.7(2) . . . . ? Li2 Li1 Li3 C11 67.99(18) . . . . ? C17 Li1 Li3 C11 -12.8(2) . . . . ? C12 Li1 Li3 C11 -6.31(12) . . . . ? N11 Li1 Li3 Li2 -127.2(4) . . . . ? C31 Li1 Li3 Li2 134.8(3) . . . . ? C11 Li1 Li3 Li2 -67.99(18) . . . . ? C21 Li1 Li3 Li2 27.8(2) . . . . ? Li4 Li1 Li3 Li2 66.8(2) . . . . ? C17 Li1 Li3 Li2 -80.8(3) . . . . ? C12 Li1 Li3 Li2 -74.30(19) . . . . ? N11 Li1 Li3 C32B 73.9(4) . . . . ? C31 Li1 Li3 C32B -24.0(2) . . . . ? C11 Li1 Li3 C32B 133.1(3) . . . . ? C21 Li1 Li3 C32B -131.0(3) . . . . ? Li4 Li1 Li3 C32B -92.1(3) . . . . ? Li2 Li1 Li3 C32B -158.9(3) . . . . ? C17 Li1 Li3 C32B 120.3(3) . . . . ? C12 Li1 Li3 C32B 126.8(3) . . . . ? N11 Li1 Li3 C112 -64.0(4) . . . . ? C31 Li1 Li3 C112 -161.9(3) . . . . ? C11 Li1 Li3 C112 -4.8(2) . . . . ? C21 Li1 Li3 C112 91.1(3) . . . . ? Li4 Li1 Li3 C112 130.0(3) . . . . ? Li2 Li1 Li3 C112 63.2(2) . . . . ? C17 Li1 Li3 C112 -17.6(4) . . . . ? C12 Li1 Li3 C112 -11.1(3) . . . . ? N11 Li1 Li3 Li4 166.0(4) . . . . ? C31 Li1 Li3 Li4 68.1(2) . . . . ? C11 Li1 Li3 Li4 -134.7(2) . . . . ? C21 Li1 Li3 Li4 -38.9(2) . . . . ? Li2 Li1 Li3 Li4 -66.8(2) . . . . ? C17 Li1 Li3 Li4 -147.6(3) . . . . ? C12 Li1 Li3 Li4 -141.1(2) . . . . ? N11 Li1 Li3 C32A 101.3(4) . . . . ? C31 Li1 Li3 C32A 3.4(2) . . . . ? C11 Li1 Li3 C32A 160.6(3) . . . . ? C21 Li1 Li3 C32A -103.6(3) . . . . ? Li4 Li1 Li3 C32A -64.7(2) . . . . ? Li2 Li1 Li3 C32A -131.4(3) . . . . ? C17 Li1 Li3 C32A 147.7(3) . . . . ? C12 Li1 Li3 C32A 154.3(2) . . . . ? C16 C11 Li3 N12 21.6(2) . . . . ? C12 C11 Li3 N12 -132.5(5) . . . . ? Li1 C11 Li3 N12 -158.8(3) . . . . ? Li2 C11 Li3 N12 125.8(2) . . . . ? C16 C11 Li3 C31 160.5(2) . . . . ? C12 C11 Li3 C31 6.3(6) . . . . ? Li1 C11 Li3 C31 -20.0(2) . . . . ? Li2 C11 Li3 C31 -95.4(2) . . . . ? C16 C11 Li3 C41 -85.3(2) . . . . ? C12 C11 Li3 C41 120.6(5) . . . . ? Li1 C11 Li3 C41 94.3(2) . . . . ? Li2 C11 Li3 C41 18.90(19) . . . . ? C16 C11 Li3 Li1 -179.6(2) . . . . ? C12 C11 Li3 Li1 26.3(5) . . . . ? Li2 C11 Li3 Li1 -75.4(2) . . . . ? C16 C11 Li3 Li2 -104.2(2) . . . . ? C12 C11 Li3 Li2 101.7(5) . . . . ? Li1 C11 Li3 Li2 75.4(2) . . . . ? C16 C11 Li3 C32B 124.6(3) . . . . ? C12 C11 Li3 C32B -29.5(6) . . . . ? Li1 C11 Li3 C32B -55.8(3) . . . . ? Li2 C11 Li3 C32B -131.2(3) . . . . ? C16 C11 Li3 C112 -4.59(17) . . . . ? C12 C11 Li3 C112 -158.7(5) . . . . ? Li1 C11 Li3 C112 175.0(2) . . . . ? Li2 C11 Li3 C112 99.57(19) . . . . ? C16 C11 Li3 Li4 -140.9(2) . . . . ? C12 C11 Li3 Li4 64.9(5) . . . . ? Li1 C11 Li3 Li4 38.6(2) . . . . ? Li2 C11 Li3 Li4 -36.8(2) . . . . ? C16 C11 Li3 C32A 148.8(4) . . . . ? C12 C11 Li3 C32A -5.3(8) . . . . ? Li1 C11 Li3 C32A -31.6(4) . . . . ? Li2 C11 Li3 C32A -107.1(4) . . . . ? N21 Li2 Li3 N12 8.1(9) . . . . ? C41 Li2 Li3 N12 94.2(3) . . . . ? C21 Li2 Li3 N12 -157.9(2) . . . . ? C11 Li2 Li3 N12 -63.3(2) . . . . ? Li4 Li2 Li3 N12 161.1(3) . . . . ? Li1 Li2 Li3 N12 -128.3(3) . . . . ? C27 Li2 Li3 N12 -83.1(6) . . . . ? C22 Li2 Li3 N12 -136.8(3) . . . . ? N21 Li2 Li3 C31 174.2(6) . . . . ? C41 Li2 Li3 C31 -99.7(3) . . . . ? C21 Li2 Li3 C31 8.1(3) . . . . ? C11 Li2 Li3 C31 102.7(2) . . . . ? Li4 Li2 Li3 C31 -32.9(2) . . . . ? Li1 Li2 Li3 C31 37.7(2) . . . . ? C27 Li2 Li3 C31 83.0(6) . . . . ? C22 Li2 Li3 C31 29.2(4) . . . . ? N21 Li2 Li3 C41 -86.1(7) . . . . ? C21 Li2 Li3 C41 107.9(2) . . . . ? C11 Li2 Li3 C41 -157.6(2) . . . . ? Li4 Li2 Li3 C41 66.8(2) . . . . ? Li1 Li2 Li3 C41 137.4(2) . . . . ? C27 Li2 Li3 C41 -177.3(6) . . . . ? C22 Li2 Li3 C41 128.9(4) . . . . ? N21 Li2 Li3 Li1 136.5(7) . . . . ? C41 Li2 Li3 Li1 -137.4(2) . . . . ? C21 Li2 Li3 Li1 -29.6(2) . . . . ? C11 Li2 Li3 Li1 65.02(18) . . . . ? Li4 Li2 Li3 Li1 -70.6(2) . . . . ? C27 Li2 Li3 Li1 45.3(5) . . . . ? C22 Li2 Li3 Li1 -8.5(3) . . . . ? N21 Li2 Li3 C11 71.4(7) . . . . ? C41 Li2 Li3 C11 157.6(2) . . . . ? C21 Li2 Li3 C11 -94.6(2) . . . . ? Li4 Li2 Li3 C11 -135.6(2) . . . . ? Li1 Li2 Li3 C11 -65.02(18) . . . . ? C27 Li2 Li3 C11 -19.7(5) . . . . ? C22 Li2 Li3 C11 -73.5(3) . . . . ? N21 Li2 Li3 C32B 169.0(6) . . . . ? C41 Li2 Li3 C32B -104.9(5) . . . . ? C21 Li2 Li3 C32B 3.0(6) . . . . ? C11 Li2 Li3 C32B 97.6(5) . . . . ? Li4 Li2 Li3 C32B -38.0(5) . . . . ? Li1 Li2 Li3 C32B 32.6(5) . . . . ? C27 Li2 Li3 C32B 77.9(7) . . . . ? C22 Li2 Li3 C32B 24.1(7) . . . . ? N21 Li2 Li3 C112 11.7(7) . . . . ? C41 Li2 Li3 C112 97.84(19) . . . . ? C21 Li2 Li3 C112 -154.3(2) . . . . ? C11 Li2 Li3 C112 -59.72(15) . . . . ? Li4 Li2 Li3 C112 164.7(2) . . . . ? Li1 Li2 Li3 C112 -124.7(2) . . . . ? C27 Li2 Li3 C112 -79.5(5) . . . . ? C22 Li2 Li3 C112 -133.2(3) . . . . ? N21 Li2 Li3 Li4 -152.9(7) . . . . ? C41 Li2 Li3 Li4 -66.8(2) . . . . ? C21 Li2 Li3 Li4 41.0(2) . . . . ? C11 Li2 Li3 Li4 135.6(2) . . . . ? Li1 Li2 Li3 Li4 70.6(2) . . . . ? C27 Li2 Li3 Li4 115.9(5) . . . . ? C22 Li2 Li3 Li4 62.1(3) . . . . ? N21 Li2 Li3 C32A -156.6(6) . . . . ? C41 Li2 Li3 C32A -70.5(3) . . . . ? C21 Li2 Li3 C32A 37.4(4) . . . . ? C11 Li2 Li3 C32A 132.0(3) . . . . ? Li4 Li2 Li3 C32A -3.6(3) . . . . ? Li1 Li2 Li3 C32A 67.0(3) . . . . ? C27 Li2 Li3 C32A 112.3(5) . . . . ? C22 Li2 Li3 C32A 58.5(5) . . . . ? C33B C32B Li3 N12 -90.3(17) . . . . ? C31 C32B Li3 N12 171.1(4) . . . . ? C33B C32B Li3 C31 98.6(18) . . . . ? C33B C32B Li3 C41 34.2(18) . . . . ? C31 C32B Li3 C41 -64.4(5) . . . . ? C33B C32B Li3 Li1 135.7(17) . . . . ? C31 C32B Li3 Li1 37.1(4) . . . . ? C33B C32B Li3 C11 178.7(16) . . . . ? C31 C32B Li3 C11 80.0(5) . . . . ? C33B C32B Li3 Li2 107.4(17) . . . . ? C31 C32B Li3 Li2 8.8(7) . . . . ? C33B C32B Li3 C112 -106.0(17) . . . . ? C31 C32B Li3 C112 155.4(4) . . . . ? C33B C32B Li3 Li4 76.3(17) . . . . ? C31 C32B Li3 Li4 -22.3(4) . . . . ? C33B C32B Li3 C32A 31.7(17) . . . . ? C31 C32B Li3 C32A -66.9(4) . . . . ? C16 C112 Li3 N12 -124.8(3) . . . . ? N12 C112 Li3 C31 76.8(8) . . . . ? C16 C112 Li3 C31 -48.0(9) . . . . ? N12 C112 Li3 C41 -121.0(3) . . . . ? C16 C112 Li3 C41 114.2(2) . . . . ? N12 C112 Li3 Li1 133.7(3) . . . . ? C16 C112 Li3 Li1 8.8(3) . . . . ? N12 C112 Li3 C11 129.2(2) . . . . ? C16 C112 Li3 C11 4.34(16) . . . . ? N12 C112 Li3 Li2 -174.3(3) . . . . ? C16 C112 Li3 Li2 60.9(2) . . . . ? N12 C112 Li3 C32B 27.5(5) . . . . ? C16 C112 Li3 C32B -97.4(5) . . . . ? N12 C112 Li3 Li4 -155.8(4) . . . . ? C16 C112 Li3 Li4 79.4(4) . . . . ? N12 C112 Li3 C32A -14.5(5) . . . . ? C16 C112 Li3 C32A -139.3(6) . . . . ? C33A C32A Li3 N12 42.5(8) . . . . ? C31 C32A Li3 N12 137.0(4) . . . . ? C33A C32A Li3 C31 -94.5(7) . . . . ? C33A C32A Li3 C41 156.8(6) . . . . ? C31 C32A Li3 C41 -108.7(3) . . . . ? C33A C32A Li3 Li1 -99.6(7) . . . . ? C31 C32A Li3 Li1 -5.1(3) . . . . ? C33A C32A Li3 C11 -74.2(8) . . . . ? C31 C32A Li3 C11 20.3(5) . . . . ? C33A C32A Li3 Li2 -153.1(6) . . . . ? C31 C32A Li3 Li2 -58.6(4) . . . . ? C33A C32A Li3 C32B -25.3(7) . . . . ? C31 C32A Li3 C32B 69.2(4) . . . . ? C33A C32A Li3 C112 51.7(10) . . . . ? C31 C32A Li3 C112 146.2(6) . . . . ? C33A C32A Li3 Li4 -156.4(7) . . . . ? C31 C32A Li3 Li4 -61.9(3) . . . . ? C213 N22 Li4 C41 -37.7(5) . . . . ? C215 N22 Li4 C41 94.6(5) . . . . ? C212 N22 Li4 C41 -153.6(4) . . . . ? C213 N22 Li4 C31 -176.0(2) . . . . ? C215 N22 Li4 C31 -43.7(3) . . . . ? C212 N22 Li4 C31 68.2(2) . . . . ? C213 N22 Li4 C42 -41.2(3) . . . . ? C215 N22 Li4 C42 91.1(3) . . . . ? C212 N22 Li4 C42 -157.1(2) . . . . ? C213 N22 Li4 Li2 52.4(5) . . . . ? C215 N22 Li4 Li2 -175.3(4) . . . . ? C212 N22 Li4 Li2 -63.5(4) . . . . ? C213 N22 Li4 C21 74.9(2) . . . . ? C215 N22 Li4 C21 -152.7(2) . . . . ? C212 N22 Li4 C21 -40.9(2) . . . . ? C213 N22 Li4 Li1 126.2(3) . . . . ? C215 N22 Li4 Li1 -101.5(3) . . . . ? C212 N22 Li4 Li1 10.3(3) . . . . ? C213 N22 Li4 Li3 -170.5(7) . . . . ? C215 N22 Li4 Li3 -38.2(8) . . . . ? C212 N22 Li4 Li3 73.6(7) . . . . ? C213 N22 Li4 C212 115.9(3) . . . . ? C215 N22 Li4 C212 -111.8(3) . . . . ? C42 C41 Li4 N22 -5.6(4) . . . . ? Li2 C41 Li4 N22 124.4(4) . . . . ? Li3 C41 Li4 N22 -161.3(4) . . . . ? C42 C41 Li4 C31 133.5(3) . . . . ? Li2 C41 Li4 C31 -96.4(2) . . . . ? Li3 C41 Li4 C31 -22.1(2) . . . . ? Li2 C41 Li4 C42 130.1(3) . . . . ? Li3 C41 Li4 C42 -155.6(3) . . . . ? C42 C41 Li4 Li2 -130.1(3) . . . . ? Li3 C41 Li4 Li2 74.3(2) . . . . ? C42 C41 Li4 C21 -110.2(3) . . . . ? Li2 C41 Li4 C21 19.8(2) . . . . ? Li3 C41 Li4 C21 94.1(2) . . . . ? C42 C41 Li4 Li1 -170.8(3) . . . . ? Li2 C41 Li4 Li1 -40.7(2) . . . . ? Li3 C41 Li4 Li1 33.6(2) . . . . ? C42 C41 Li4 Li3 155.6(3) . . . . ? Li2 C41 Li4 Li3 -74.3(2) . . . . ? C42 C41 Li4 C212 -67.4(9) . . . . ? Li2 C41 Li4 C212 62.6(8) . . . . ? Li3 C41 Li4 C212 136.9(9) . . . . ? C32B C31 Li4 N22 122.8(7) . . . . ? C32A C31 Li4 N22 89.6(3) . . . . ? Li3 C31 Li4 N22 177.5(3) . . . . ? Li1 C31 Li4 N22 -109.6(2) . . . . ? C32B C31 Li4 C41 -31.6(7) . . . . ? C32A C31 Li4 C41 -64.8(3) . . . . ? Li3 C31 Li4 C41 23.1(2) . . . . ? Li1 C31 Li4 C41 96.0(2) . . . . ? C32B C31 Li4 C42 1.4(8) . . . . ? C32A C31 Li4 C42 -31.7(4) . . . . ? Li3 C31 Li4 C42 56.2(3) . . . . ? Li1 C31 Li4 C42 129.0(3) . . . . ? C32B C31 Li4 Li2 -88.5(7) . . . . ? C32A C31 Li4 Li2 -121.7(3) . . . . ? Li3 C31 Li4 Li2 -33.8(2) . . . . ? Li1 C31 Li4 Li2 39.1(2) . . . . ? C32B C31 Li4 C21 -146.8(6) . . . . ? C32A C31 Li4 C21 -179.9(3) . . . . ? Li3 C31 Li4 C21 -92.0(2) . . . . ? Li1 C31 Li4 C21 -19.2(2) . . . . ? C32B C31 Li4 Li1 -127.6(7) . . . . ? C32A C31 Li4 Li1 -160.7(3) . . . . ? Li3 C31 Li4 Li1 -72.9(2) . . . . ? C32B C31 Li4 Li3 -54.7(7) . . . . ? C32A C31 Li4 Li3 -87.9(3) . . . . ? Li1 C31 Li4 Li3 72.9(2) . . . . ? C32B C31 Li4 C212 154.2(7) . . . . ? C32A C31 Li4 C212 121.0(3) . . . . ? Li3 C31 Li4 C212 -151.1(2) . . . . ? Li1 C31 Li4 C212 -78.22(19) . . . . ? C41 C42 Li4 N22 176.3(3) . . . . ? C43 C42 Li4 N22 -82.3(13) . . . . ? C43 C42 Li4 C41 101.3(13) . . . . ? C41 C42 Li4 C31 -60.8(3) . . . . ? C43 C42 Li4 C31 40.5(14) . . . . ? C41 C42 Li4 Li2 39.4(2) . . . . ? C43 C42 Li4 Li2 140.7(13) . . . . ? C41 C42 Li4 C21 85.5(3) . . . . ? C43 C42 Li4 C21 -173.2(12) . . . . ? C41 C42 Li4 Li1 13.9(4) . . . . ? C43 C42 Li4 Li1 115.2(13) . . . . ? C41 C42 Li4 Li3 -19.8(2) . . . . ? C43 C42 Li4 Li3 81.5(13) . . . . ? C41 C42 Li4 C212 158.7(4) . . . . ? C43 C42 Li4 C212 -100.0(13) . . . . ? N21 Li2 Li4 N22 -30.8(6) . . . . ? C41 Li2 Li4 N22 -129.8(4) . . . . ? C21 Li2 Li4 N22 27.4(4) . . . . ? C11 Li2 Li4 N22 122.9(4) . . . . ? Li1 Li2 Li4 N22 97.1(4) . . . . ? Li3 Li2 Li4 N22 163.5(4) . . . . ? C27 Li2 Li4 N22 14.4(5) . . . . ? C22 Li2 Li4 N22 20.5(4) . . . . ? N21 Li2 Li4 C41 99.0(4) . . . . ? C21 Li2 Li4 C41 157.2(2) . . . . ? C11 Li2 Li4 C41 -107.3(2) . . . . ? Li1 Li2 Li4 C41 -133.1(2) . . . . ? Li3 Li2 Li4 C41 -66.69(19) . . . . ? C27 Li2 Li4 C41 144.2(3) . . . . ? C22 Li2 Li4 C41 150.3(2) . . . . ? N21 Li2 Li4 C31 -163.7(3) . . . . ? C41 Li2 Li4 C31 97.3(2) . . . . ? C21 Li2 Li4 C31 -105.6(2) . . . . ? C11 Li2 Li4 C31 -10.0(3) . . . . ? Li1 Li2 Li4 C31 -35.8(2) . . . . ? Li3 Li2 Li4 C31 30.6(2) . . . . ? C27 Li2 Li4 C31 -118.5(3) . . . . ? C22 Li2 Li4 C31 -112.4(2) . . . . ? N21 Li2 Li4 C42 71.0(4) . . . . ? C41 Li2 Li4 C42 -28.05(16) . . . . ? C21 Li2 Li4 C42 129.1(2) . . . . ? C11 Li2 Li4 C42 -135.3(2) . . . . ? Li1 Li2 Li4 C42 -161.2(2) . . . . ? Li3 Li2 Li4 C42 -94.7(2) . . . . ? C27 Li2 Li4 C42 116.2(3) . . . . ? C22 Li2 Li4 C42 122.27(19) . . . . ? N21 Li2 Li4 C21 -58.2(3) . . . . ? C41 Li2 Li4 C21 -157.2(2) . . . . ? C11 Li2 Li4 C21 95.5(2) . . . . ? Li1 Li2 Li4 C21 69.71(18) . . . . ? Li3 Li2 Li4 C21 136.1(2) . . . . ? C27 Li2 Li4 C21 -12.9(2) . . . . ? C22 Li2 Li4 C21 -6.86(12) . . . . ? N21 Li2 Li4 Li1 -127.9(4) . . . . ? C41 Li2 Li4 Li1 133.1(2) . . . . ? C21 Li2 Li4 Li1 -69.71(18) . . . . ? C11 Li2 Li4 Li1 25.8(2) . . . . ? Li3 Li2 Li4 Li1 66.4(2) . . . . ? C27 Li2 Li4 Li1 -82.7(3) . . . . ? C22 Li2 Li4 Li1 -76.57(18) . . . . ? N21 Li2 Li4 Li3 165.7(4) . . . . ? C41 Li2 Li4 Li3 66.69(19) . . . . ? C21 Li2 Li4 Li3 -136.1(2) . . . . ? C11 Li2 Li4 Li3 -40.6(2) . . . . ? Li1 Li2 Li4 Li3 -66.4(2) . . . . ? C27 Li2 Li4 Li3 -149.1(3) . . . . ? C22 Li2 Li4 Li3 -143.0(2) . . . . ? N21 Li2 Li4 C212 -64.7(4) . . . . ? C41 Li2 Li4 C212 -163.7(3) . . . . ? C21 Li2 Li4 C212 -6.6(2) . . . . ? C11 Li2 Li4 C212 89.0(3) . . . . ? Li1 Li2 Li4 C212 63.1(2) . . . . ? Li3 Li2 Li4 C212 129.6(3) . . . . ? C27 Li2 Li4 C212 -19.5(4) . . . . ? C22 Li2 Li4 C212 -13.4(3) . . . . ? C22 C21 Li4 N22 -133.7(4) . . . . ? C26 C21 Li4 N22 19.2(2) . . . . ? Li2 C21 Li4 N22 -161.7(3) . . . . ? Li1 C21 Li4 N22 124.4(2) . . . . ? C22 C21 Li4 C41 8.4(6) . . . . ? C26 C21 Li4 C41 161.3(2) . . . . ? Li2 C21 Li4 C41 -19.6(2) . . . . ? Li1 C21 Li4 C41 -93.5(2) . . . . ? C22 C21 Li4 C31 120.2(4) . . . . ? C26 C21 Li4 C31 -86.9(2) . . . . ? Li2 C21 Li4 C31 92.1(2) . . . . ? Li1 C21 Li4 C31 18.22(19) . . . . ? C22 C21 Li4 C42 -31.3(6) . . . . ? C26 C21 Li4 C42 121.6(3) . . . . ? Li2 C21 Li4 C42 -59.4(2) . . . . ? Li1 C21 Li4 C42 -133.3(3) . . . . ? C22 C21 Li4 Li2 28.1(5) . . . . ? C26 C21 Li4 Li2 -179.0(2) . . . . ? Li1 C21 Li4 Li2 -73.9(2) . . . . ? C22 C21 Li4 Li1 101.9(5) . . . . ? C26 C21 Li4 Li1 -105.2(2) . . . . ? Li2 C21 Li4 Li1 73.9(2) . . . . ? C22 C21 Li4 Li3 66.0(5) . . . . ? C26 C21 Li4 Li3 -141.1(2) . . . . ? Li2 C21 Li4 Li3 37.9(2) . . . . ? Li1 C21 Li4 Li3 -35.9(2) . . . . ? C22 C21 Li4 C212 -158.7(5) . . . . ? C26 C21 Li4 C212 -5.85(17) . . . . ? Li2 C21 Li4 C212 173.2(2) . . . . ? Li1 C21 Li4 C212 99.32(19) . . . . ? N11 Li1 Li4 N22 2.5(8) . . . . ? C31 Li1 Li4 N22 93.1(3) . . . . ? C11 Li1 Li4 N22 -159.3(2) . . . . ? C21 Li1 Li4 N22 -65.6(2) . . . . ? Li3 Li1 Li4 N22 157.4(3) . . . . ? Li2 Li1 Li4 N22 -131.7(3) . . . . ? C17 Li1 Li4 N22 -82.8(5) . . . . ? C12 Li1 Li4 N22 -135.9(3) . . . . ? N11 Li1 Li4 C41 172.1(6) . . . . ? C31 Li1 Li4 C41 -97.3(2) . . . . ? C11 Li1 Li4 C41 10.4(3) . . . . ? C21 Li1 Li4 C41 104.0(2) . . . . ? Li3 Li1 Li4 C41 -33.0(2) . . . . ? Li2 Li1 Li4 C41 37.9(2) . . . . ? C17 Li1 Li4 C41 86.9(5) . . . . ? C12 Li1 Li4 C41 33.7(4) . . . . ? N11 Li1 Li4 C31 -90.6(7) . . . . ? C11 Li1 Li4 C31 107.6(3) . . . . ? C21 Li1 Li4 C31 -158.7(2) . . . . ? Li3 Li1 Li4 C31 64.3(2) . . . . ? Li2 Li1 Li4 C31 135.2(2) . . . . ? C17 Li1 Li4 C31 -175.9(5) . . . . ? C12 Li1 Li4 C31 131.0(4) . . . . ? N11 Li1 Li4 C42 163.5(5) . . . . ? C31 Li1 Li4 C42 -105.8(4) . . . . ? C11 Li1 Li4 C42 1.8(5) . . . . ? C21 Li1 Li4 C42 95.4(4) . . . . ? Li3 Li1 Li4 C42 -41.5(4) . . . . ? Li2 Li1 Li4 C42 29.3(4) . . . . ? C17 Li1 Li4 C42 78.3(6) . . . . ? C12 Li1 Li4 C42 25.1(6) . . . . ? N11 Li1 Li4 Li2 134.2(7) . . . . ? C31 Li1 Li4 Li2 -135.2(2) . . . . ? C11 Li1 Li4 Li2 -27.5(2) . . . . ? C21 Li1 Li4 Li2 66.08(18) . . . . ? Li3 Li1 Li4 Li2 -70.9(2) . . . . ? C17 Li1 Li4 Li2 48.9(5) . . . . ? C12 Li1 Li4 Li2 -4.2(3) . . . . ? N11 Li1 Li4 C21 68.1(7) . . . . ? C31 Li1 Li4 C21 158.7(2) . . . . ? C11 Li1 Li4 C21 -93.6(2) . . . . ? Li3 Li1 Li4 C21 -137.0(2) . . . . ? Li2 Li1 Li4 C21 -66.08(18) . . . . ? C17 Li1 Li4 C21 -17.2(5) . . . . ? C12 Li1 Li4 C21 -70.3(3) . . . . ? N11 Li1 Li4 Li3 -154.9(7) . . . . ? C31 Li1 Li4 Li3 -64.3(2) . . . . ? C11 Li1 Li4 Li3 43.3(2) . . . . ? C21 Li1 Li4 Li3 137.0(2) . . . . ? Li2 Li1 Li4 Li3 70.9(2) . . . . ? C17 Li1 Li4 Li3 119.8(5) . . . . ? C12 Li1 Li4 Li3 66.7(3) . . . . ? N11 Li1 Li4 C212 8.3(7) . . . . ? C31 Li1 Li4 C212 98.91(19) . . . . ? C11 Li1 Li4 C212 -153.4(2) . . . . ? C21 Li1 Li4 C212 -59.82(14) . . . . ? Li3 Li1 Li4 C212 163.2(2) . . . . ? Li2 Li1 Li4 C212 -125.9(2) . . . . ? C17 Li1 Li4 C212 -77.0(5) . . . . ? C12 Li1 Li4 C212 -130.1(3) . . . . ? N12 Li3 Li4 N22 142.1(8) . . . . ? C31 Li3 Li4 N22 -6.6(7) . . . . ? C41 Li3 Li4 N22 145.7(8) . . . . ? Li1 Li3 Li4 N22 -74.6(7) . . . . ? C11 Li3 Li4 N22 -110.9(7) . . . . ? Li2 Li3 Li4 N22 -147.6(8) . . . . ? C32B Li3 Li4 N22 8.2(8) . . . . ? C112 Li3 Li4 N22 -169.5(6) . . . . ? C32A Li3 Li4 N22 29.2(7) . . . . ? N12 Li3 Li4 C41 -3.6(9) . . . . ? C31 Li3 Li4 C41 -152.3(2) . . . . ? Li1 Li3 Li4 C41 139.8(2) . . . . ? C11 Li3 Li4 C41 103.4(2) . . . . ? Li2 Li3 Li4 C41 66.72(19) . . . . ? C32B Li3 Li4 C41 -137.5(3) . . . . ? C112 Li3 Li4 C41 44.8(3) . . . . ? C32A Li3 Li4 C41 -116.5(2) . . . . ? N12 Li3 Li4 C31 148.7(10) . . . . ? C41 Li3 Li4 C31 152.3(2) . . . . ? Li1 Li3 Li4 C31 -67.9(2) . . . . ? C11 Li3 Li4 C31 -104.3(2) . . . . ? Li2 Li3 Li4 C31 -141.0(2) . . . . ? C32B Li3 Li4 C31 14.8(3) . . . . ? C112 Li3 Li4 C31 -162.9(4) . . . . ? C32A Li3 Li4 C31 35.85(18) . . . . ? N12 Li3 Li4 C42 10.9(10) . . . . ? C31 Li3 Li4 C42 -137.8(2) . . . . ? C41 Li3 Li4 C42 14.55(16) . . . . ? Li1 Li3 Li4 C42 154.3(2) . . . . ? C11 Li3 Li4 C42 117.9(2) . . . . ? Li2 Li3 Li4 C42 81.3(2) . . . . ? C32B Li3 Li4 C42 -122.9(3) . . . . ? C112 Li3 Li4 C42 59.3(4) . . . . ? C32A Li3 Li4 C42 -101.9(2) . . . . ? N12 Li3 Li4 Li2 -70.4(9) . . . . ? C31 Li3 Li4 Li2 141.0(2) . . . . ? C41 Li3 Li4 Li2 -66.72(19) . . . . ? Li1 Li3 Li4 Li2 73.0(2) . . . . ? C11 Li3 Li4 Li2 36.7(2) . . . . ? C32B Li3 Li4 Li2 155.8(3) . . . . ? C112 Li3 Li4 Li2 -21.9(3) . . . . ? C32A Li3 Li4 Li2 176.8(3) . . . . ? N12 Li3 Li4 C21 -106.7(9) . . . . ? C31 Li3 Li4 C21 104.7(2) . . . . ? C41 Li3 Li4 C21 -103.0(2) . . . . ? Li1 Li3 Li4 C21 36.7(2) . . . . ? C11 Li3 Li4 C21 0.4(3) . . . . ? Li2 Li3 Li4 C21 -36.30(19) . . . . ? C32B Li3 Li4 C21 119.5(3) . . . . ? C112 Li3 Li4 C21 -58.2(4) . . . . ? C32A Li3 Li4 C21 140.5(2) . . . . ? N12 Li3 Li4 Li1 -143.4(9) . . . . ? C31 Li3 Li4 Li1 67.9(2) . . . . ? C41 Li3 Li4 Li1 -139.8(2) . . . . ? C11 Li3 Li4 Li1 -36.37(19) . . . . ? Li2 Li3 Li4 Li1 -73.0(2) . . . . ? C32B Li3 Li4 Li1 82.8(3) . . . . ? C112 Li3 Li4 Li1 -95.0(4) . . . . ? C32A Li3 Li4 Li1 103.8(2) . . . . ? N12 Li3 Li4 C212 -167.6(7) . . . . ? C31 Li3 Li4 C212 43.8(3) . . . . ? C41 Li3 Li4 C212 -163.9(4) . . . . ? Li1 Li3 Li4 C212 -24.2(3) . . . . ? C11 Li3 Li4 C212 -60.5(4) . . . . ? Li2 Li3 Li4 C212 -97.2(3) . . . . ? C32B Li3 Li4 C212 58.6(4) . . . . ? C112 Li3 Li4 C212 -119.1(4) . . . . ? C32A Li3 Li4 C212 79.6(3) . . . . ? C26 C212 Li4 N22 -125.7(3) . . . . ? N22 C212 Li4 C41 83.1(9) . . . . ? C26 C212 Li4 C41 -42.6(9) . . . . ? N22 C212 Li4 C31 -117.3(2) . . . . ? C26 C212 Li4 C31 117.0(2) . . . . ? N22 C212 Li4 C42 31.7(3) . . . . ? C26 C212 Li4 C42 -94.0(3) . . . . ? N22 C212 Li4 Li2 137.5(3) . . . . ? C26 C212 Li4 Li2 11.8(3) . . . . ? N22 C212 Li4 C21 131.2(2) . . . . ? C26 C212 Li4 C21 5.51(16) . . . . ? N22 C212 Li4 Li1 -170.6(3) . . . . ? C26 C212 Li4 Li1 63.7(2) . . . . ? N22 C212 Li4 Li3 -150.4(4) . . . . ? C26 C212 Li4 Li3 83.9(4) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 22.65 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 0.575 _refine_diff_density_min -0.360 _refine_diff_density_rms 0.047 data_s3708a _database_code_depnum_ccdc_archive 'CCDC 615196' _database_code_depnum_ccdc_archive 'CCDC 615196' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C32 H56 Li4 N4' _chemical_formula_sum 'C32 H56 Li4 N4' _chemical_formula_weight 524.57 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' Li Li -0.0003 0.0001 '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' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.4158(6) _cell_length_b 10.4587(5) _cell_length_c 17.6551(8) _cell_angle_alpha 95.909(3) _cell_angle_beta 97.918(3) _cell_angle_gamma 104.638(3) _cell_volume 1648.85(15) _cell_formula_units_Z 2 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 11765 _cell_measurement_theta_min 2.03 _cell_measurement_theta_max 27.48 _exptl_crystal_description plate _exptl_crystal_colour colourless _exptl_crystal_size_max 0.45 _exptl_crystal_size_mid 0.39 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.057 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 576 _exptl_absorpt_coefficient_mu 0.059 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.62 _exptl_absorpt_correction_T_max 0.99 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius KappaCCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 24123 _diffrn_reflns_av_R_equivalents 0.0363 _diffrn_reflns_av_sigmaI/netI 0.0403 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.03 _diffrn_reflns_theta_max 27.50 _reflns_number_total 7487 _reflns_number_gt 5476 _reflns_threshold_expression I>2\s(I) _computing_data_collection 'Nonius COLLECT' _computing_cell_refinement Peakref _computing_data_reduction 'EvalCCD, Sadabs' _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. For the disordered propyl group C42A,C43A,C44A/C42B,C43B,C44B restraints were included in the refinement using a SAME instruction in SHELXL-97. ; _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^)+(0.0624P)^2^+0.6469P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens difmap _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7487 _refine_ls_number_parameters 399 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.0823 _refine_ls_R_factor_gt 0.0528 _refine_ls_wR_factor_ref 0.1419 _refine_ls_wR_factor_gt 0.1257 _refine_ls_goodness_of_fit_ref 1.051 _refine_ls_restrained_S_all 1.051 _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 N11 N 0.48167(14) 0.75985(13) 0.19782(7) 0.0254(3) Uani 1 1 d . . . N12 N 0.99864(14) 0.69404(12) 0.38909(7) 0.0226(3) Uani 1 1 d . A . N21 N 0.45149(14) 0.35353(12) 0.33906(7) 0.0239(3) Uani 1 1 d . . . N22 N 0.88510(15) 0.34962(13) 0.14137(7) 0.0262(3) Uani 1 1 d . . . C11 C 0.66117(16) 0.68813(14) 0.34726(8) 0.0203(3) Uani 1 1 d . A . C12 C 0.54148(16) 0.74918(14) 0.33954(9) 0.0214(3) Uani 1 1 d . . . C13 C 0.52173(17) 0.84192(15) 0.39758(9) 0.0251(3) Uani 1 1 d . . . H13 H 0.4389 0.8782 0.3895 0.030 Uiso 1 1 calc R . . C14 C 0.62036(18) 0.88125(15) 0.46609(9) 0.0261(3) Uani 1 1 d . . . H14 H 0.6070 0.9446 0.5051 0.031 Uiso 1 1 calc R . . C15 C 0.73975(17) 0.82636(14) 0.47684(9) 0.0232(3) Uani 1 1 d . . . H15 H 0.8097 0.8534 0.5236 0.028 Uiso 1 1 calc R . . C16 C 0.75868(16) 0.73191(14) 0.41999(8) 0.0205(3) Uani 1 1 d . A . C17 C 0.42435(17) 0.71335(15) 0.26705(9) 0.0255(3) Uani 1 1 d . . . H17A H 0.3831 0.6182 0.2560 0.050 Uiso 1 1 d . . . H17B H 0.3454 0.7521 0.2727 0.050 Uiso 1 1 d . . . C18 C 0.5341(2) 0.90637(16) 0.20913(11) 0.0349(4) Uani 1 1 d . . . H18A H 0.4513 0.9440 0.2177 0.052 Uiso 1 1 calc R . . H18B H 0.5720 0.9361 0.1631 0.052 Uiso 1 1 calc R . . H18C H 0.6139 0.9368 0.2541 0.052 Uiso 1 1 calc R . . C19 C 0.3594(2) 0.7163(2) 0.13125(10) 0.0376(4) Uani 1 1 d . . . H19A H 0.3228 0.6187 0.1234 0.056 Uiso 1 1 calc R . . H19B H 0.3958 0.7460 0.0849 0.056 Uiso 1 1 calc R . . H19C H 0.2782 0.7552 0.1412 0.056 Uiso 1 1 calc R . . C110 C 0.88890(17) 0.67309(15) 0.44218(8) 0.0227(3) Uani 1 1 d . A . H10A H 0.8534 0.5787 0.4395 0.050 Uiso 1 1 d . . . H10B H 0.9316 0.7051 0.4946 0.050 Uiso 1 1 d . . . C111 C 1.07318(18) 0.83656(16) 0.39437(10) 0.0301(4) Uani 1 1 d . . . H11A H 1.1284 0.8704 0.4468 0.045 Uiso 1 1 calc R . . H11B H 0.9986 0.8853 0.3824 0.045 Uiso 1 1 calc R . . H11C H 1.1424 0.8492 0.3574 0.045 Uiso 1 1 calc R . . C112 C 1.10944(18) 0.62051(17) 0.40870(10) 0.0305(4) Uani 1 1 d . . . H11D H 1.1824 0.6351 0.3737 0.046 Uiso 1 1 calc R . . H11E H 1.0594 0.5250 0.4034 0.046 Uiso 1 1 calc R . . H11F H 1.1605 0.6525 0.4621 0.046 Uiso 1 1 calc R . . C21 C 0.77538(16) 0.37174(14) 0.30301(8) 0.0208(3) Uani 1 1 d . A . C22 C 0.70084(16) 0.30567(14) 0.35943(8) 0.0210(3) Uani 1 1 d . . . C23 C 0.73116(18) 0.19282(15) 0.38651(9) 0.0261(3) Uani 1 1 d . . . H23 H 0.6763 0.1517 0.4230 0.031 Uiso 1 1 calc R . . C24 C 0.83978(19) 0.13985(16) 0.36111(10) 0.0305(4) Uani 1 1 d . . . H24 H 0.8603 0.0633 0.3798 0.037 Uiso 1 1 calc R . . C25 C 0.91743(18) 0.20113(16) 0.30804(9) 0.0282(4) Uani 1 1 d . . . H25 H 0.9939 0.1675 0.2908 0.034 Uiso 1 1 calc R . . C26 C 0.88524(16) 0.31224(14) 0.27922(9) 0.0225(3) Uani 1 1 d . . . C27 C 0.58345(17) 0.35525(15) 0.39588(9) 0.0240(3) Uani 1 1 d . . . H27A H 0.5482 0.3009 0.4358 0.050 Uiso 1 1 d . . . H27B H 0.6212 0.4488 0.4211 0.050 Uiso 1 1 d . . . C28 C 0.35090(19) 0.41489(17) 0.37739(10) 0.0317(4) Uani 1 1 d . . . H28A H 0.2639 0.4138 0.3395 0.048 Uiso 1 1 calc R . . H28B H 0.4035 0.5073 0.3996 0.048 Uiso 1 1 calc R . . H28C H 0.3182 0.3644 0.4186 0.048 Uiso 1 1 calc R . . C29 C 0.37263(19) 0.21684(16) 0.30315(11) 0.0327(4) Uani 1 1 d . . . H29A H 0.3344 0.1648 0.3426 0.049 Uiso 1 1 calc R . . H29B H 0.4413 0.1758 0.2792 0.049 Uiso 1 1 calc R . . H29C H 0.2894 0.2185 0.2636 0.049 Uiso 1 1 calc R . . C210 C 0.97556(17) 0.36788(16) 0.21927(9) 0.0266(3) Uani 1 1 d . . . H10C H 1.0201 0.4686 0.2340 0.050 Uiso 1 1 d . . . H10D H 1.0611 0.3325 0.2199 0.050 Uiso 1 1 d . . . C211 C 0.8204(2) 0.20672(17) 0.11286(10) 0.0373(4) Uani 1 1 d . . . H21A H 0.7623 0.1957 0.0610 0.056 Uiso 1 1 calc R . . H21B H 0.7552 0.1664 0.1477 0.056 Uiso 1 1 calc R . . H21C H 0.9004 0.1627 0.1109 0.056 Uiso 1 1 calc R . . C212 C 0.9798(2) 0.40864(19) 0.08777(11) 0.0387(4) Uani 1 1 d . . . H21D H 1.0563 0.3613 0.0829 0.058 Uiso 1 1 calc R . . H21E H 1.0276 0.5030 0.1075 0.058 Uiso 1 1 calc R . . H21F H 0.9187 0.4010 0.0370 0.058 Uiso 1 1 calc R . . C31 C 0.87316(17) 0.67357(15) 0.18602(9) 0.0250(3) Uani 1 1 d . A . H31A H 0.8655 0.6420 0.1301 0.050 Uiso 1 1 d . . . H31B H 0.9659 0.6632 0.2094 0.050 Uiso 1 1 d . . . C32 C 0.88306(19) 0.82361(17) 0.19019(10) 0.0320(4) Uani 1 1 d . . . H32A H 0.8685 0.8628 0.2426 0.050 Uiso 1 1 d . . . H32B H 0.7989 0.8413 0.1539 0.050 Uiso 1 1 d . . . C33 C 1.0255(2) 0.91291(17) 0.16942(11) 0.0377(4) Uani 1 1 d . . . H33A H 1.0278 1.0102 0.1791 0.050 Uiso 1 1 d . . . H33B H 1.1194 0.9104 0.2047 0.050 Uiso 1 1 d . . . C34 C 1.0405(2) 0.8834(2) 0.08616(12) 0.0461(5) Uani 1 1 d . . . H34A H 1.1399 0.9396 0.0738 0.050 Uiso 1 1 d . . . H34B H 1.0388 0.7883 0.0734 0.050 Uiso 1 1 d . . . H34C H 0.9613 0.9149 0.0522 0.050 Uiso 1 1 d . . . C41 C 0.50326(18) 0.43794(17) 0.15353(9) 0.0295(4) Uani 1 1 d . . . H41 H 0.4055 0.4301 0.1703 0.050 Uiso 1 1 d . . . H41A H 0.5052 0.3539 0.1630 0.050 Uiso 0.467(4) 1 d P A 1 H41B H 0.4788 0.4972 0.1095 0.050 Uiso 0.533(4) 1 d P A 2 C42A C 0.5073(4) 0.4200(3) 0.06677(19) 0.0272(9) Uani 0.467(4) 1 d PD A 1 H42A H 0.6022 0.3997 0.0596 0.033 Uiso 0.467(4) 1 calc PR A 1 H42B H 0.5096 0.5066 0.0483 0.033 Uiso 0.467(4) 1 calc PR A 1 C43A C 0.3803(4) 0.3126(4) 0.0143(2) 0.0363(10) Uani 0.467(4) 1 d PD A 1 H43A H 0.2841 0.3278 0.0235 0.044 Uiso 0.467(4) 1 calc PR A 1 H43B H 0.3884 0.3221 -0.0402 0.044 Uiso 0.467(4) 1 calc PR A 1 C44A C 0.3797(5) 0.1707(6) 0.0269(3) 0.0441(12) Uani 0.467(4) 1 d PD A 1 H44A H 0.4775 0.1570 0.0222 0.066 Uiso 0.467(4) 1 calc PR A 1 H44B H 0.3032 0.1072 -0.0120 0.066 Uiso 0.467(4) 1 calc PR A 1 H44C H 0.3581 0.1565 0.0786 0.066 Uiso 0.467(4) 1 calc PR A 1 C42B C 0.5016(3) 0.3122(3) 0.10890(18) 0.0299(8) Uani 0.533(4) 1 d PD A 2 H42C H 0.5291 0.2538 0.1459 0.036 Uiso 0.533(4) 1 calc PR A 2 H42D H 0.5813 0.3313 0.0772 0.036 Uiso 0.533(4) 1 calc PR A 2 C43B C 0.3579(4) 0.2318(4) 0.0551(2) 0.0338(9) Uani 0.533(4) 1 d PD A 2 H43C H 0.2756 0.2137 0.0852 0.041 Uiso 0.533(4) 1 calc PR A 2 H43D H 0.3323 0.2856 0.0149 0.041 Uiso 0.533(4) 1 calc PR A 2 C44B C 0.3723(5) 0.0995(5) 0.0161(2) 0.0412(10) Uani 0.533(4) 1 d PD A 2 H44D H 0.4560 0.1167 -0.0123 0.062 Uiso 0.533(4) 1 calc PR A 2 H44E H 0.2802 0.0538 -0.0199 0.062 Uiso 0.533(4) 1 calc PR A 2 H44F H 0.3901 0.0431 0.0554 0.062 Uiso 0.533(4) 1 calc PR A 2 Li1 Li 0.6413(3) 0.6549(3) 0.19993(16) 0.0298(6) Uani 1 1 d . A . Li2 Li 0.8405(3) 0.6063(3) 0.29832(14) 0.0250(5) Uani 1 1 d . . . Li3 Li 0.7403(3) 0.4556(3) 0.17350(16) 0.0290(6) Uani 1 1 d . A . Li4 Li 0.5816(3) 0.4688(3) 0.27834(15) 0.0260(5) Uani 1 1 d . A . 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 N11 0.0212(7) 0.0278(7) 0.0281(7) 0.0055(5) 0.0019(5) 0.0086(5) N12 0.0157(6) 0.0235(6) 0.0283(7) 0.0010(5) 0.0015(5) 0.0068(5) N21 0.0183(6) 0.0230(6) 0.0316(7) 0.0040(5) 0.0069(5) 0.0062(5) N22 0.0250(7) 0.0266(7) 0.0278(7) 0.0000(5) 0.0078(6) 0.0084(6) C11 0.0166(7) 0.0185(7) 0.0263(7) 0.0043(6) 0.0062(6) 0.0042(6) C12 0.0171(7) 0.0202(7) 0.0281(8) 0.0058(6) 0.0076(6) 0.0043(6) C13 0.0214(8) 0.0234(7) 0.0356(8) 0.0066(6) 0.0116(7) 0.0106(6) C14 0.0288(8) 0.0207(7) 0.0313(8) 0.0009(6) 0.0131(7) 0.0081(6) C15 0.0222(8) 0.0213(7) 0.0243(7) 0.0019(6) 0.0057(6) 0.0023(6) C16 0.0183(7) 0.0182(7) 0.0265(7) 0.0058(6) 0.0083(6) 0.0043(6) C17 0.0175(7) 0.0270(8) 0.0338(8) 0.0050(6) 0.0056(6) 0.0085(6) C18 0.0378(10) 0.0278(8) 0.0433(10) 0.0105(7) 0.0095(8) 0.0131(8) C19 0.0282(9) 0.0488(11) 0.0355(9) 0.0068(8) -0.0031(7) 0.0139(8) C110 0.0207(8) 0.0245(7) 0.0226(7) 0.0023(6) 0.0019(6) 0.0070(6) C111 0.0200(8) 0.0263(8) 0.0412(9) 0.0029(7) 0.0030(7) 0.0030(6) C112 0.0220(8) 0.0322(9) 0.0370(9) -0.0018(7) -0.0006(7) 0.0126(7) C21 0.0174(7) 0.0189(7) 0.0241(7) -0.0010(6) 0.0010(6) 0.0042(6) C22 0.0185(7) 0.0190(7) 0.0233(7) 0.0000(6) -0.0001(6) 0.0044(6) C23 0.0268(8) 0.0223(7) 0.0275(8) 0.0049(6) 0.0015(6) 0.0049(6) C24 0.0337(9) 0.0238(8) 0.0350(9) 0.0049(7) -0.0017(7) 0.0134(7) C25 0.0239(8) 0.0279(8) 0.0344(9) -0.0008(7) 0.0009(7) 0.0143(7) C26 0.0168(7) 0.0218(7) 0.0260(7) -0.0023(6) -0.0009(6) 0.0047(6) C27 0.0234(8) 0.0240(7) 0.0258(8) 0.0060(6) 0.0074(6) 0.0059(6) C28 0.0266(9) 0.0312(9) 0.0444(10) 0.0106(7) 0.0162(8) 0.0129(7) C29 0.0225(8) 0.0275(8) 0.0448(10) 0.0020(7) 0.0059(7) 0.0020(7) C210 0.0185(8) 0.0286(8) 0.0333(8) 0.0002(6) 0.0053(6) 0.0089(6) C211 0.0425(11) 0.0307(9) 0.0359(9) -0.0052(7) 0.0019(8) 0.0114(8) C212 0.0388(10) 0.0451(10) 0.0383(10) 0.0051(8) 0.0204(8) 0.0155(9) C31 0.0228(8) 0.0248(8) 0.0284(8) 0.0039(6) 0.0064(6) 0.0071(6) C32 0.0308(9) 0.0298(8) 0.0406(9) 0.0085(7) 0.0131(8) 0.0122(7) C33 0.0342(10) 0.0269(9) 0.0526(11) 0.0059(8) 0.0132(8) 0.0063(7) C34 0.0401(11) 0.0542(12) 0.0520(12) 0.0227(10) 0.0180(9) 0.0160(10) C41 0.0232(8) 0.0344(9) 0.0269(8) 0.0018(7) 0.0030(7) 0.0023(7) C42A 0.0222(18) 0.0317(18) 0.0265(17) 0.0041(14) 0.0033(14) 0.0059(14) C43A 0.029(2) 0.052(3) 0.0244(18) -0.0002(17) -0.0002(15) 0.0083(18) C44A 0.042(3) 0.034(3) 0.044(3) -0.010(3) 0.002(2) -0.004(3) C42B 0.0226(16) 0.0290(16) 0.0353(17) -0.0025(13) 0.0025(13) 0.0060(13) C43B 0.0270(18) 0.0242(18) 0.043(2) -0.0042(16) -0.0036(15) 0.0030(14) C44B 0.040(2) 0.031(2) 0.044(2) -0.0097(19) 0.0027(17) 0.001(2) Li1 0.0251(14) 0.0274(14) 0.0384(15) 0.0067(11) 0.0071(12) 0.0084(11) Li2 0.0211(13) 0.0268(13) 0.0256(13) -0.0005(10) 0.0037(10) 0.0055(11) Li3 0.0245(14) 0.0272(13) 0.0343(14) -0.0026(11) 0.0054(11) 0.0074(11) Li4 0.0220(13) 0.0245(13) 0.0308(14) 0.0051(10) 0.0049(11) 0.0041(11) _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 N11 C18 1.469(2) . ? N11 C19 1.472(2) . ? N11 C17 1.481(2) . ? N11 Li1 2.072(3) . ? N12 C111 1.466(2) . ? N12 C112 1.4698(19) . ? N12 C110 1.479(2) . ? N12 Li2 1.994(3) . ? N21 C29 1.464(2) . ? N21 C28 1.4700(19) . ? N21 C27 1.480(2) . ? N21 Li4 1.996(3) . ? N22 C212 1.465(2) . ? N22 C211 1.469(2) . ? N22 C210 1.481(2) . ? N22 Li3 2.063(3) . ? C11 C12 1.427(2) . ? C11 C16 1.429(2) . ? C11 Li2 2.304(3) . ? C11 Li4 2.369(3) . ? C11 Li1 2.563(3) . ? C12 C13 1.402(2) . ? C12 C17 1.516(2) . ? C13 C14 1.375(2) . ? C13 H13 0.9500 . ? C14 C15 1.385(2) . ? C14 H14 0.9500 . ? C15 C16 1.396(2) . ? C15 H15 0.9500 . ? C16 C110 1.528(2) . ? C16 Li2 2.705(3) . ? C17 Li1 2.665(3) . ? C17 H17A 0.9607 . ? C17 H17B 0.9440 . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C19 H19C 0.9800 . ? C110 Li2 2.510(3) . ? C110 H10A 0.9528 . ? C110 H10B 0.9465 . ? C111 H11A 0.9800 . ? C111 H11B 0.9800 . ? C111 H11C 0.9800 . ? C112 H11D 0.9800 . ? C112 H11E 0.9800 . ? C112 H11F 0.9800 . ? C21 C26 1.423(2) . ? C21 C22 1.432(2) . ? C21 Li4 2.315(3) . ? C21 Li2 2.387(3) . ? C21 Li3 2.541(3) . ? C22 C23 1.397(2) . ? C22 C27 1.524(2) . ? C22 Li4 2.692(3) . ? C23 C24 1.384(2) . ? C23 H23 0.9500 . ? C24 C25 1.378(2) . ? C24 H24 0.9500 . ? C25 C26 1.399(2) . ? C25 H25 0.9500 . ? C26 C210 1.519(2) . ? C27 Li4 2.495(3) . ? C27 H27A 0.9908 . ? C27 H27B 0.9863 . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? C29 H29A 0.9800 . ? C29 H29B 0.9800 . ? C29 H29C 0.9800 . ? C210 Li3 2.663(3) . ? C210 H10C 1.0215 . ? C210 H10D 0.9668 . ? C211 H21A 0.9800 . ? C211 H21B 0.9800 . ? C211 H21C 0.9800 . ? C212 H21D 0.9800 . ? C212 H21E 0.9800 . ? C212 H21F 0.9800 . ? C31 C32 1.542(2) . ? C31 Li1 2.192(3) . ? C31 Li2 2.206(3) . ? C31 Li3 2.278(3) . ? C31 H31A 0.9950 . ? C31 H31B 0.9499 . ? C32 C33 1.542(2) . ? C32 Li1 2.543(3) . ? C32 H32A 1.0141 . ? C32 H32B 1.0155 . ? C33 C34 1.504(3) . ? C33 H33A 1.0085 . ? C33 H33B 1.0169 . ? C34 H34A 1.0363 . ? C34 H34B 0.9931 . ? C34 H34C 1.0318 . ? C41 C42B 1.458(3) . ? C41 C42A 1.531(4) . ? C41 Li3 2.168(3) . ? C41 Li4 2.189(3) . ? C41 Li1 2.311(3) . ? C41 H41 0.9918 . ? C41 H41A 0.9157 . ? C41 H41B 1.0786 . ? C42A C43A 1.533(4) . ? C42A H41B 1.1546 . ? C42A H42A 0.9900 . ? C42A H42B 0.9900 . ? C43A C44A 1.521(6) . ? C43A H43A 0.9900 . ? C43A H43B 0.9900 . ? C44A H44A 0.9800 . ? C44A H44B 0.9800 . ? C44A H44C 0.9800 . ? C42B C43B 1.532(4) . ? C42B H42C 0.9900 . ? C42B H42D 0.9900 . ? C43B C44B 1.527(5) . ? C43B H43C 0.9900 . ? C43B H43D 0.9900 . ? C44B H44D 0.9800 . ? C44B H44E 0.9800 . ? C44B H44F 0.9800 . ? Li1 Li4 2.498(4) . ? Li1 Li3 2.516(4) . ? Li1 Li2 2.561(4) . ? Li1 H41B 2.2627 . ? Li2 Li4 2.454(4) . ? Li2 Li3 2.488(4) . ? Li2 H31B 2.1359 . ? Li3 Li4 2.548(4) . ? Li3 H31A 2.2741 . ? Li3 H41A 2.1731 . ? Li4 H41 2.2764 . ? Li4 H41A 2.1825 . ? 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 C18 N11 C19 108.65(13) . . ? C18 N11 C17 110.13(12) . . ? C19 N11 C17 108.52(13) . . ? C18 N11 Li1 117.49(13) . . ? C19 N11 Li1 115.29(13) . . ? C17 N11 Li1 95.74(11) . . ? C111 N12 C112 109.84(12) . . ? C111 N12 C110 110.39(12) . . ? C112 N12 C110 109.66(12) . . ? C111 N12 Li2 118.85(12) . . ? C112 N12 Li2 115.09(12) . . ? C110 N12 Li2 91.31(11) . . ? C29 N21 C28 110.02(13) . . ? C29 N21 C27 110.86(12) . . ? C28 N21 C27 109.77(12) . . ? C29 N21 Li4 117.86(13) . . ? C28 N21 Li4 116.07(12) . . ? C27 N21 Li4 90.46(11) . . ? C212 N22 C211 108.67(13) . . ? C212 N22 C210 109.56(13) . . ? C211 N22 C210 110.14(13) . . ? C212 N22 Li3 115.07(13) . . ? C211 N22 Li3 116.61(13) . . ? C210 N22 Li3 95.98(11) . . ? C12 C11 C16 112.99(13) . . ? C12 C11 Li2 152.09(13) . . ? C16 C11 Li2 89.71(11) . . ? C12 C11 Li4 109.75(12) . . ? C16 C11 Li4 126.94(12) . . ? Li2 C11 Li4 63.34(10) . . ? C12 C11 Li1 89.47(11) . . ? C16 C11 Li1 146.03(12) . . ? Li2 C11 Li1 63.24(9) . . ? Li4 C11 Li1 60.71(9) . . ? C13 C12 C11 123.28(14) . . ? C13 C12 C17 115.86(13) . . ? C11 C12 C17 120.84(13) . . ? C14 C13 C12 121.03(14) . . ? C14 C13 H13 119.5 . . ? C12 C13 H13 119.5 . . ? C13 C14 C15 118.45(14) . . ? C13 C14 H14 120.8 . . ? C15 C14 H14 120.8 . . ? C14 C15 C16 120.93(14) . . ? C14 C15 H15 119.5 . . ? C16 C15 H15 119.5 . . ? C15 C16 C11 123.30(13) . . ? C15 C16 C110 115.04(13) . . ? C11 C16 C110 121.61(12) . . ? C15 C16 Li2 164.95(12) . . ? C11 C16 Li2 58.39(9) . . ? C110 C16 Li2 66.08(9) . . ? N11 C17 C12 113.62(12) . . ? N11 C17 Li1 50.68(9) . . ? C12 C17 Li1 83.88(10) . . ? N11 C17 H17A 107.9 . . ? C12 C17 H17A 110.1 . . ? Li1 C17 H17A 82.0 . . ? N11 C17 H17B 105.6 . . ? C12 C17 H17B 111.5 . . ? Li1 C17 H17B 156.2 . . ? H17A C17 H17B 107.8 . . ? N11 C18 H18A 109.5 . . ? N11 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? N11 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? N11 C19 H19A 109.5 . . ? N11 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? N11 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? N12 C110 C16 113.25(12) . . ? N12 C110 Li2 52.59(9) . . ? C16 C110 Li2 80.12(10) . . ? N12 C110 H10A 105.3 . . ? C16 C110 H10A 109.9 . . ? Li2 C110 H10A 80.2 . . ? N12 C110 H10B 113.4 . . ? C16 C110 H10B 109.2 . . ? Li2 C110 H10B 166.0 . . ? H10A C110 H10B 105.4 . . ? N12 C111 H11A 109.5 . . ? N12 C111 H11B 109.5 . . ? H11A C111 H11B 109.5 . . ? N12 C111 H11C 109.5 . . ? H11A C111 H11C 109.5 . . ? H11B C111 H11C 109.5 . . ? N12 C112 H11D 109.5 . . ? N12 C112 H11E 109.5 . . ? H11D C112 H11E 109.5 . . ? N12 C112 H11F 109.5 . . ? H11D C112 H11F 109.5 . . ? H11E C112 H11F 109.5 . . ? C26 C21 C22 112.89(13) . . ? C26 C21 Li4 152.29(13) . . ? C22 C21 Li4 88.61(11) . . ? C26 C21 Li2 111.68(12) . . ? C22 C21 Li2 126.12(11) . . ? Li4 C21 Li2 62.91(10) . . ? C26 C21 Li3 90.16(11) . . ? C22 C21 Li3 145.02(12) . . ? Li4 C21 Li3 63.09(9) . . ? Li2 C21 Li3 60.55(9) . . ? C23 C22 C21 123.14(14) . . ? C23 C22 C27 114.62(13) . . ? C21 C22 C27 122.23(12) . . ? C23 C22 Li4 163.36(12) . . ? C21 C22 Li4 59.26(9) . . ? C27 C22 Li4 65.93(9) . . ? C24 C23 C22 121.12(15) . . ? C24 C23 H23 119.4 . . ? C22 C23 H23 119.4 . . ? C25 C24 C23 118.26(14) . . ? C25 C24 H24 120.9 . . ? C23 C24 H24 120.9 . . ? C24 C25 C26 120.96(15) . . ? C24 C25 H25 119.5 . . ? C26 C25 H25 119.5 . . ? C25 C26 C21 123.59(15) . . ? C25 C26 C210 115.78(13) . . ? C21 C26 C210 120.63(13) . . ? N21 C27 C22 113.20(12) . . ? N21 C27 Li4 53.13(9) . . ? C22 C27 Li4 80.18(10) . . ? N21 C27 H27A 107.7 . . ? C22 C27 H27A 111.2 . . ? Li4 C27 H27A 160.9 . . ? N21 C27 H27B 104.7 . . ? C22 C27 H27B 112.5 . . ? Li4 C27 H27B 81.0 . . ? H27A C27 H27B 107.0 . . ? N21 C28 H28A 109.5 . . ? N21 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? N21 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? N21 C29 H29A 109.5 . . ? N21 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? N21 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? N22 C210 C26 113.16(12) . . ? N22 C210 Li3 50.42(9) . . ? C26 C210 Li3 83.67(10) . . ? N22 C210 H10C 105.5 . . ? C26 C210 H10C 110.2 . . ? Li3 C210 H10C 79.2 . . ? N22 C210 H10D 113.4 . . ? C26 C210 H10D 109.7 . . ? Li3 C210 H10D 163.3 . . ? H10C C210 H10D 104.4 . . ? N22 C211 H21A 109.5 . . ? N22 C211 H21B 109.5 . . ? H21A C211 H21B 109.5 . . ? N22 C211 H21C 109.5 . . ? H21A C211 H21C 109.5 . . ? H21B C211 H21C 109.5 . . ? N22 C212 H21D 109.5 . . ? N22 C212 H21E 109.5 . . ? H21D C212 H21E 109.5 . . ? N22 C212 H21F 109.5 . . ? H21D C212 H21F 109.5 . . ? H21E C212 H21F 109.5 . . ? C32 C31 Li1 83.90(12) . . ? C32 C31 Li2 110.40(12) . . ? Li1 C31 Li2 71.22(11) . . ? C32 C31 Li3 151.68(13) . . ? Li1 C31 Li3 68.48(11) . . ? Li2 C31 Li3 67.38(11) . . ? C32 C31 H31A 104.6 . . ? Li1 C31 H31A 103.6 . . ? Li2 C31 H31A 143.6 . . ? Li3 C31 H31A 77.2 . . ? C32 C31 H31B 109.2 . . ? Li1 C31 H31B 144.5 . . ? Li2 C31 H31B 73.3 . . ? Li3 C31 H31B 97.3 . . ? H31A C31 H31B 104.6 . . ? C31 C32 C33 116.29(14) . . ? C31 C32 Li1 59.02(10) . . ? C33 C32 Li1 169.74(14) . . ? C31 C32 H32A 111.8 . . ? C33 C32 H32A 108.6 . . ? Li1 C32 H32A 81.6 . . ? C31 C32 H32B 112.4 . . ? C33 C32 H32B 104.2 . . ? Li1 C32 H32B 71.5 . . ? H32A C32 H32B 102.4 . . ? C34 C33 C32 113.37(16) . . ? C34 C33 H33A 106.7 . . ? C32 C33 H33A 111.0 . . ? C34 C33 H33B 110.3 . . ? C32 C33 H33B 112.6 . . ? H33A C33 H33B 102.1 . . ? C33 C34 H34A 112.6 . . ? C33 C34 H34B 110.1 . . ? H34A C34 H34B 106.5 . . ? C33 C34 H34C 108.7 . . ? H34A C34 H34C 103.1 . . ? H34B C34 H34C 115.7 . . ? C42B C41 C42A 56.13(19) . . ? C42B C41 Li3 81.03(15) . . ? C42A C41 Li3 87.95(17) . . ? C42B C41 Li4 118.37(17) . . ? C42A C41 Li4 159.53(18) . . ? Li3 C41 Li4 71.58(11) . . ? C42B C41 Li1 145.36(17) . . ? C42A C41 Li1 105.55(17) . . ? Li3 C41 Li1 68.26(11) . . ? Li4 C41 Li1 67.37(11) . . ? C42B C41 H41 109.5 . . ? C42A C41 H41 118.3 . . ? Li3 C41 H41 153.5 . . ? Li4 C41 H41 82.2 . . ? Li1 C41 H41 105.1 . . ? C42A C41 H41A 98.8 . . ? Li3 C41 H41A 78.1 . . ? Li4 C41 H41A 77.5 . . ? Li1 C41 H41A 137.2 . . ? H41 C41 H41A 93.2 . . ? C42B C41 H41B 103.1 . . ? Li3 C41 H41B 109.2 . . ? Li4 C41 H41B 137.7 . . ? Li1 C41 H41B 73.9 . . ? H41 C41 H41B 92.4 . . ? C41 C42A C43A 117.8(3) . . ? C43A C42A H41B 119.2 . . ? C41 C42A H42A 107.9 . . ? C43A C42A H42A 107.9 . . ? H41B C42A H42A 132.6 . . ? C41 C42A H42B 107.9 . . ? C43A C42A H42B 107.9 . . ? H41B C42A H42B 65.2 . . ? H42A C42A H42B 107.2 . . ? C44A C43A C42A 113.7(3) . . ? C44A C43A H43A 108.8 . . ? C42A C43A H43A 108.8 . . ? C44A C43A H43B 108.8 . . ? C42A C43A H43B 108.8 . . ? H43A C43A H43B 107.7 . . ? C41 C42B C43B 118.8(3) . . ? C43B C42B H41A 123.9 . . ? C41 C42B H42C 107.6 . . ? C43B C42B H42C 107.6 . . ? H41A C42B H42C 70.2 . . ? C41 C42B H42D 107.6 . . ? C43B C42B H42D 107.6 . . ? H41A C42B H42D 127.1 . . ? H42C C42B H42D 107.0 . . ? C44B C43B C42B 112.2(3) . . ? C44B C43B H43C 109.2 . . ? C42B C43B H43C 109.2 . . ? C44B C43B H43D 109.2 . . ? C42B C43B H43D 109.2 . . ? H43C C43B H43D 107.9 . . ? C43B C44B H44D 109.5 . . ? C43B C44B H44E 109.5 . . ? H44D C44B H44E 109.5 . . ? C43B C44B H44F 109.5 . . ? H44D C44B H44F 109.5 . . ? H44E C44B H44F 109.5 . . ? N11 Li1 C31 142.44(15) . . ? N11 Li1 C41 103.28(13) . . ? C31 Li1 C41 108.42(12) . . ? N11 Li1 Li4 110.44(14) . . ? C31 Li1 Li4 104.36(13) . . ? C41 Li1 Li4 53.97(9) . . ? N11 Li1 Li3 156.16(15) . . ? C31 Li1 Li3 57.37(10) . . ? C41 Li1 Li3 53.17(9) . . ? Li4 Li1 Li3 61.08(11) . . ? N11 Li1 C32 105.83(12) . . ? C31 Li1 C32 37.08(7) . . ? C41 Li1 C32 141.54(13) . . ? Li4 Li1 C32 132.81(14) . . ? Li3 Li1 C32 94.26(12) . . ? N11 Li1 Li2 138.66(15) . . ? C31 Li1 Li2 54.64(9) . . ? C41 Li1 Li2 98.87(12) . . ? Li4 Li1 Li2 58.02(10) . . ? Li3 Li1 Li2 58.67(10) . . ? C32 Li1 Li2 74.83(10) . . ? N11 Li1 C11 86.44(11) . . ? C31 Li1 C11 102.15(12) . . ? C41 Li1 C11 107.87(12) . . ? Li4 Li1 C11 55.80(9) . . ? Li3 Li1 C11 103.40(12) . . ? C32 Li1 C11 98.55(11) . . ? Li2 Li1 C11 53.45(9) . . ? N11 Li1 C17 33.58(6) . . ? C31 Li1 C17 155.17(14) . . ? C41 Li1 C17 93.38(11) . . ? Li4 Li1 C17 78.62(10) . . ? Li3 Li1 C17 137.59(13) . . ? C32 Li1 C17 124.53(12) . . ? Li2 Li1 C17 111.49(12) . . ? C11 Li1 C17 58.60(8) . . ? N11 Li1 H41B 87.8 . . ? C31 Li1 H41B 112.1 . . ? C41 Li1 H41B 27.3 . . ? Li4 Li1 H41B 80.2 . . ? Li3 Li1 H41B 69.2 . . ? C32 Li1 H41B 130.8 . . ? Li2 Li1 H41B 123.9 . . ? C11 Li1 H41B 129.8 . . ? C17 Li1 H41B 92.7 . . ? N12 Li2 C31 117.02(13) . . ? N12 Li2 C11 93.77(11) . . ? C31 Li2 C11 110.52(12) . . ? N12 Li2 C21 107.75(12) . . ? C31 Li2 C21 117.82(12) . . ? C11 Li2 C21 106.97(12) . . ? N12 Li2 Li4 136.13(14) . . ? C31 Li2 Li4 105.39(12) . . ? C11 Li2 Li4 59.62(9) . . ? C21 Li2 Li4 57.11(9) . . ? N12 Li2 Li3 153.54(15) . . ? C31 Li2 Li3 57.68(10) . . ? C11 Li2 Li3 112.51(12) . . ? C21 Li2 Li3 62.81(10) . . ? Li4 Li2 Li3 62.07(11) . . ? N12 Li2 C110 36.10(7) . . ? C31 Li2 C110 145.49(13) . . ? C11 Li2 C110 64.69(8) . . ? C21 Li2 C110 95.25(10) . . ? Li4 Li2 C110 100.66(12) . . ? Li3 Li2 C110 156.82(14) . . ? N12 Li2 Li1 141.83(14) . . ? C31 Li2 Li1 54.14(9) . . ? C11 Li2 Li1 63.32(10) . . ? C21 Li2 Li1 108.06(12) . . ? Li4 Li2 Li1 59.70(10) . . ? Li3 Li2 Li1 59.77(10) . . ? C110 Li2 Li1 127.14(12) . . ? N12 Li2 C16 62.46(8) . . ? C31 Li2 C16 128.62(12) . . ? C11 Li2 C16 31.89(6) . . ? C21 Li2 C16 109.22(11) . . ? Li4 Li2 C16 83.00(10) . . ? Li3 Li2 C16 143.05(13) . . ? C110 Li2 C16 33.80(5) . . ? Li1 Li2 C16 93.34(11) . . ? N12 Li2 H31B 98.1 . . ? C31 Li2 H31B 25.2 . . ? C11 Li2 H31B 131.5 . . ? C21 Li2 H31B 113.6 . . ? Li4 Li2 H31B 125.8 . . ? Li3 Li2 H31B 67.3 . . ? C110 Li2 H31B 133.2 . . ? Li1 Li2 H31B 79.3 . . ? C16 Li2 H31B 136.8 . . ? N22 Li3 C41 138.66(14) . . ? N22 Li3 C31 104.38(13) . . ? C41 Li3 C31 110.53(13) . . ? N22 Li3 Li2 112.76(13) . . ? C41 Li3 Li2 105.24(13) . . ? C31 Li3 Li2 54.94(9) . . ? N22 Li3 Li1 157.91(16) . . ? C41 Li3 Li1 58.57(10) . . ? C31 Li3 Li1 54.15(9) . . ? Li2 Li3 Li1 61.56(11) . . ? N22 Li3 C21 86.42(11) . . ? C41 Li3 C21 101.83(12) . . ? C31 Li3 C21 109.32(11) . . ? Li2 Li3 C21 56.65(9) . . ? Li1 Li3 C21 104.73(12) . . ? N22 Li3 Li4 138.72(15) . . ? C41 Li3 Li4 54.58(9) . . ? C31 Li3 Li4 100.34(12) . . ? Li2 Li3 Li4 58.31(10) . . ? Li1 Li3 Li4 59.10(10) . . ? C21 Li3 Li4 54.10(9) . . ? N22 Li3 C210 33.60(6) . . ? C41 Li3 C210 152.82(14) . . ? C31 Li3 C210 94.76(11) . . ? Li2 Li3 C210 80.79(10) . . ? Li1 Li3 C210 140.25(13) . . ? C21 Li3 C210 58.79(8) . . ? Li4 Li3 C210 112.53(12) . . ? N22 Li3 H31A 92.4 . . ? C41 Li3 H31A 110.0 . . ? C31 Li3 H31A 25.3 . . ? Li2 Li3 H31A 80.0 . . ? Li1 Li3 H31A 65.9 . . ? C21 Li3 H31A 131.6 . . ? Li4 Li3 H31A 121.6 . . ? C210 Li3 H31A 97.1 . . ? N22 Li3 H41A 119.5 . . ? C41 Li3 H41A 24.4 . . ? C31 Li3 H41A 134.3 . . ? Li2 Li3 H41A 112.5 . . ? Li1 Li3 H41A 80.7 . . ? C21 Li3 H41A 86.7 . . ? Li4 Li3 H41A 54.4 . . ? C210 Li3 H41A 128.7 . . ? H31A Li3 H41A 133.2 . . ? N21 Li4 C41 115.72(13) . . ? N21 Li4 C21 94.15(11) . . ? C41 Li4 C21 108.85(12) . . ? N21 Li4 C11 107.83(12) . . ? C41 Li4 C11 119.75(12) . . ? C21 Li4 C11 107.22(11) . . ? N21 Li4 Li2 136.78(14) . . ? C41 Li4 Li2 105.75(13) . . ? C21 Li4 Li2 59.98(9) . . ? C11 Li4 Li2 57.05(9) . . ? N21 Li4 C27 36.40(7) . . ? C41 Li4 C27 143.83(13) . . ? C21 Li4 C27 65.01(8) . . ? C11 Li4 C27 95.14(10) . . ? Li2 Li4 C27 101.01(12) . . ? N21 Li4 Li1 153.16(15) . . ? C41 Li4 Li1 58.66(10) . . ? C21 Li4 Li1 112.62(13) . . ? C11 Li4 Li1 63.49(10) . . ? Li2 Li4 Li1 62.28(11) . . ? C27 Li4 Li1 157.49(14) . . ? N21 Li4 Li3 141.58(14) . . ? C41 Li4 Li3 53.84(10) . . ? C21 Li4 Li3 62.80(10) . . ? C11 Li4 Li3 108.27(12) . . ? Li2 Li4 Li3 59.62(10) . . ? C27 Li4 Li3 126.97(13) . . ? Li1 Li4 Li3 59.82(11) . . ? N21 Li4 C22 62.63(8) . . ? C41 Li4 C22 126.60(12) . . ? C21 Li4 C22 32.13(6) . . ? C11 Li4 C22 109.40(11) . . ? Li2 Li4 C22 83.51(10) . . ? C27 Li4 C22 33.90(6) . . ? Li1 Li4 C22 143.53(13) . . ? Li3 Li4 C22 93.07(11) . . ? N21 Li4 H41 95.4 . . ? C41 Li4 H41 25.6 . . ? C21 Li4 H41 128.6 . . ? C11 Li4 H41 117.3 . . ? Li2 Li4 H41 127.8 . . ? C27 Li4 H41 130.3 . . ? Li1 Li4 H41 69.9 . . ? Li3 Li4 H41 79.4 . . ? C22 Li4 H41 132.7 . . ? N21 Li4 H41A 100.6 . . ? C41 Li4 H41A 24.2 . . ? C21 Li4 H41A 92.4 . . ? C11 Li4 H41A 143.7 . . ? Li2 Li4 H41A 113.5 . . ? C27 Li4 H41A 121.0 . . ? Li1 Li4 H41A 80.9 . . ? Li3 Li4 H41A 54.0 . . ? C22 Li4 H41A 103.5 . . ? H41 Li4 H41A 36.2 . . ? 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 C16 C11 C12 C13 -0.3(2) . . . . ? Li2 C11 C12 C13 -142.4(2) . . . . ? Li4 C11 C12 C13 147.49(14) . . . . ? Li1 C11 C12 C13 -154.05(15) . . . . ? C16 C11 C12 C17 -178.71(13) . . . . ? Li2 C11 C12 C17 39.1(3) . . . . ? Li4 C11 C12 C17 -30.93(17) . . . . ? Li1 C11 C12 C17 27.52(15) . . . . ? C11 C12 C13 C14 1.0(2) . . . . ? C17 C12 C13 C14 179.53(14) . . . . ? C12 C13 C14 C15 -0.4(2) . . . . ? C13 C14 C15 C16 -0.9(2) . . . . ? C14 C15 C16 C11 1.7(2) . . . . ? C14 C15 C16 C110 -175.89(14) . . . . ? C14 C15 C16 Li2 93.3(5) . . . . ? C12 C11 C16 C15 -1.0(2) . . . . ? Li2 C11 C16 C15 162.26(15) . . . . ? Li4 C11 C16 C15 -142.15(15) . . . . ? Li1 C11 C16 C15 126.7(2) . . . . ? C12 C11 C16 C110 176.37(13) . . . . ? Li2 C11 C16 C110 -20.32(15) . . . . ? Li4 C11 C16 C110 35.3(2) . . . . ? Li1 C11 C16 C110 -55.9(3) . . . . ? C12 C11 C16 Li2 -163.31(15) . . . . ? Li4 C11 C16 Li2 55.58(13) . . . . ? Li1 C11 C16 Li2 -35.59(19) . . . . ? C18 N11 C17 C12 -62.64(16) . . . . ? C19 N11 C17 C12 178.54(13) . . . . ? Li1 N11 C17 C12 59.43(14) . . . . ? C18 N11 C17 Li1 -122.07(15) . . . . ? C19 N11 C17 Li1 119.11(15) . . . . ? C13 C12 C17 N11 112.85(15) . . . . ? C11 C12 C17 N11 -68.61(17) . . . . ? C13 C12 C17 Li1 154.91(13) . . . . ? C11 C12 C17 Li1 -26.55(14) . . . . ? C111 N12 C110 C16 65.87(15) . . . . ? C112 N12 C110 C16 -172.99(12) . . . . ? Li2 N12 C110 C16 -55.69(14) . . . . ? C111 N12 C110 Li2 121.56(14) . . . . ? C112 N12 C110 Li2 -117.30(14) . . . . ? C15 C16 C110 N12 -121.75(14) . . . . ? C11 C16 C110 N12 60.64(18) . . . . ? Li2 C16 C110 N12 41.76(11) . . . . ? C15 C16 C110 Li2 -163.50(13) . . . . ? C11 C16 C110 Li2 18.88(14) . . . . ? C26 C21 C22 C23 -1.4(2) . . . . ? Li4 C21 C22 C23 160.56(15) . . . . ? Li2 C21 C22 C23 -145.00(14) . . . . ? Li3 C21 C22 C23 126.08(19) . . . . ? C26 C21 C22 C27 177.39(13) . . . . ? Li4 C21 C22 C27 -20.62(15) . . . . ? Li2 C21 C22 C27 33.8(2) . . . . ? Li3 C21 C22 C27 -55.1(3) . . . . ? C26 C21 C22 Li4 -162.00(15) . . . . ? Li2 C21 C22 Li4 54.44(13) . . . . ? Li3 C21 C22 Li4 -34.48(18) . . . . ? C21 C22 C23 C24 1.7(2) . . . . ? C27 C22 C23 C24 -177.23(14) . . . . ? Li4 C22 C23 C24 94.7(5) . . . . ? C22 C23 C24 C25 -0.2(2) . . . . ? C23 C24 C25 C26 -1.4(2) . . . . ? C24 C25 C26 C21 1.6(2) . . . . ? C24 C25 C26 C210 -178.21(14) . . . . ? C22 C21 C26 C25 -0.2(2) . . . . ? Li4 C21 C26 C25 -138.5(2) . . . . ? Li2 C21 C26 C25 148.75(14) . . . . ? Li3 C21 C26 C25 -153.12(15) . . . . ? C22 C21 C26 C210 179.63(13) . . . . ? Li4 C21 C26 C210 41.3(3) . . . . ? Li2 C21 C26 C210 -31.45(17) . . . . ? Li3 C21 C26 C210 26.68(15) . . . . ? C29 N21 C27 C22 63.81(16) . . . . ? C28 N21 C27 C22 -174.43(12) . . . . ? Li4 N21 C27 C22 -56.40(14) . . . . ? C29 N21 C27 Li4 120.21(14) . . . . ? C28 N21 C27 Li4 -118.03(14) . . . . ? C23 C22 C27 N21 -119.18(14) . . . . ? C21 C22 C27 N21 61.91(18) . . . . ? Li4 C22 C27 N21 42.55(11) . . . . ? C23 C22 C27 Li4 -161.73(13) . . . . ? C21 C22 C27 Li4 19.36(14) . . . . ? C212 N22 C210 C26 178.68(13) . . . . ? C211 N22 C210 C26 -61.83(16) . . . . ? Li3 N22 C210 C26 59.38(14) . . . . ? C212 N22 C210 Li3 119.30(15) . . . . ? C211 N22 C210 Li3 -121.21(15) . . . . ? C25 C26 C210 N22 112.41(15) . . . . ? C21 C26 C210 N22 -67.41(17) . . . . ? C25 C26 C210 Li3 154.28(13) . . . . ? C21 C26 C210 Li3 -25.54(14) . . . . ? Li1 C31 C32 C33 -169.59(16) . . . . ? Li2 C31 C32 C33 123.07(15) . . . . ? Li3 C31 C32 C33 -157.0(2) . . . . ? Li2 C31 C32 Li1 -67.34(12) . . . . ? Li3 C31 C32 Li1 12.6(3) . . . . ? C31 C32 C33 C34 66.0(2) . . . . ? Li1 C32 C33 C34 5.5(8) . . . . ? C42B C41 C42A C43A 57.0(3) . . . . ? Li3 C41 C42A C43A 137.5(3) . . . . ? Li4 C41 C42A C43A 137.7(4) . . . . ? Li1 C41 C42A C43A -155.7(3) . . . . ? C41 C42A C43A C44A -67.7(4) . . . . ? C42A C41 C42B C43B -74.9(3) . . . . ? Li3 C41 C42B C43B -168.5(3) . . . . ? Li4 C41 C42B C43B 128.2(3) . . . . ? Li1 C41 C42B C43B -141.1(3) . . . . ? C41 C42B C43B C44B -176.9(3) . . . . ? C18 N11 Li1 C31 -20.9(3) . . . . ? C19 N11 Li1 C31 109.2(2) . . . . ? C17 N11 Li1 C31 -137.1(2) . . . . ? C18 N11 Li1 C41 -168.00(12) . . . . ? C19 N11 Li1 C41 -37.86(17) . . . . ? C17 N11 Li1 C41 75.76(13) . . . . ? C18 N11 Li1 Li4 135.85(14) . . . . ? C19 N11 Li1 Li4 -94.01(16) . . . . ? C17 N11 Li1 Li4 19.61(15) . . . . ? C18 N11 Li1 Li3 -159.8(3) . . . . ? C19 N11 Li1 Li3 -29.7(4) . . . . ? C17 N11 Li1 Li3 83.9(4) . . . . ? C18 N11 Li1 C32 -13.41(18) . . . . ? C19 N11 Li1 C32 116.73(14) . . . . ? C17 N11 Li1 C32 -129.66(12) . . . . ? C18 N11 Li1 Li2 71.5(2) . . . . ? C19 N11 Li1 Li2 -158.40(19) . . . . ? C17 N11 Li1 Li2 -44.8(2) . . . . ? C18 N11 Li1 C11 84.48(14) . . . . ? C19 N11 Li1 C11 -145.39(12) . . . . ? C17 N11 Li1 C11 -31.77(11) . . . . ? C18 N11 Li1 C17 116.25(16) . . . . ? C19 N11 Li1 C17 -113.62(15) . . . . ? C32 C31 Li1 N11 12.0(3) . . . . ? Li2 C31 Li1 N11 126.0(3) . . . . ? Li3 C31 Li1 N11 -161.6(3) . . . . ? C32 C31 Li1 C41 158.13(14) . . . . ? Li2 C31 Li1 C41 -87.87(13) . . . . ? Li3 C31 Li1 C41 -15.49(12) . . . . ? C32 C31 Li1 Li4 -145.56(14) . . . . ? Li2 C31 Li1 Li4 -31.56(12) . . . . ? Li3 C31 Li1 Li4 40.82(12) . . . . ? C32 C31 Li1 Li3 173.62(13) . . . . ? Li2 C31 Li1 Li3 -72.38(11) . . . . ? Li2 C31 Li1 C32 114.00(12) . . . . ? Li3 C31 Li1 C32 -173.62(13) . . . . ? C32 C31 Li1 Li2 -114.00(12) . . . . ? Li3 C31 Li1 Li2 72.38(11) . . . . ? C32 C31 Li1 C11 -88.13(12) . . . . ? Li2 C31 Li1 C11 25.87(10) . . . . ? Li3 C31 Li1 C11 98.25(12) . . . . ? C32 C31 Li1 C17 -51.6(3) . . . . ? Li2 C31 Li1 C17 62.4(3) . . . . ? Li3 C31 Li1 C17 134.7(3) . . . . ? C42B C41 Li1 N11 146.6(3) . . . . ? C42A C41 Li1 N11 94.57(19) . . . . ? Li3 C41 Li1 N11 175.89(15) . . . . ? Li4 C41 Li1 N11 -105.78(14) . . . . ? C42B C41 Li1 C31 -13.0(4) . . . . ? C42A C41 Li1 C31 -65.0(2) . . . . ? Li3 C41 Li1 C31 16.31(12) . . . . ? Li4 C41 Li1 C31 94.64(14) . . . . ? C42B C41 Li1 Li4 -107.6(3) . . . . ? C42A C41 Li1 Li4 -159.65(19) . . . . ? Li3 C41 Li1 Li4 -78.33(12) . . . . ? C42B C41 Li1 Li3 -29.3(3) . . . . ? C42A C41 Li1 Li3 -81.32(18) . . . . ? Li4 C41 Li1 Li3 78.33(12) . . . . ? C42B C41 Li1 C32 8.2(4) . . . . ? C42A C41 Li1 C32 -43.8(3) . . . . ? Li3 C41 Li1 C32 37.5(2) . . . . ? Li4 C41 Li1 C32 115.8(2) . . . . ? C42B C41 Li1 Li2 -68.5(3) . . . . ? C42A C41 Li1 Li2 -120.58(18) . . . . ? Li3 C41 Li1 Li2 -39.26(12) . . . . ? Li4 C41 Li1 Li2 39.07(12) . . . . ? C42B C41 Li1 C11 -122.9(3) . . . . ? C42A C41 Li1 C11 -174.91(17) . . . . ? Li3 C41 Li1 C11 -93.59(13) . . . . ? Li4 C41 Li1 C11 -15.27(11) . . . . ? C42B C41 Li1 C17 179.1(3) . . . . ? C42A C41 Li1 C17 127.05(17) . . . . ? Li3 C41 Li1 C17 -151.63(13) . . . . ? Li4 C41 Li1 C17 -73.30(11) . . . . ? C31 C32 Li1 N11 -172.44(16) . . . . ? C33 C32 Li1 N11 -107.0(7) . . . . ? C33 C32 Li1 C31 65.4(7) . . . . ? C31 C32 Li1 C41 -34.6(2) . . . . ? C33 C32 Li1 C41 30.8(9) . . . . ? C31 C32 Li1 Li4 48.32(18) . . . . ? C33 C32 Li1 Li4 113.7(7) . . . . ? C31 C32 Li1 Li3 -5.39(11) . . . . ? C33 C32 Li1 Li3 60.0(8) . . . . ? C31 C32 Li1 Li2 50.53(11) . . . . ? C33 C32 Li1 Li2 116.0(8) . . . . ? C31 C32 Li1 C11 98.86(12) . . . . ? C33 C32 Li1 C11 164.3(7) . . . . ? C31 C32 Li1 C17 156.44(17) . . . . ? C33 C32 Li1 C17 -138.1(7) . . . . ? C12 C11 Li1 N11 4.61(11) . . . . ? C16 C11 Li1 N11 -128.65(19) . . . . ? Li2 C11 Li1 N11 -169.33(13) . . . . ? Li4 C11 Li1 N11 117.73(13) . . . . ? C12 C11 Li1 C31 147.65(12) . . . . ? C16 C11 Li1 C31 14.4(3) . . . . ? Li2 C11 Li1 C31 -26.29(11) . . . . ? Li4 C11 Li1 C31 -99.23(13) . . . . ? C12 C11 Li1 C41 -98.20(13) . . . . ? C16 C11 Li1 C41 128.53(19) . . . . ? Li2 C11 Li1 C41 87.86(13) . . . . ? Li4 C11 Li1 C41 14.92(11) . . . . ? C12 C11 Li1 Li4 -113.12(12) . . . . ? C16 C11 Li1 Li4 113.6(2) . . . . ? Li2 C11 Li1 Li4 72.94(11) . . . . ? C12 C11 Li1 Li3 -153.40(13) . . . . ? C16 C11 Li1 Li3 73.3(2) . . . . ? Li2 C11 Li1 Li3 32.66(12) . . . . ? Li4 C11 Li1 Li3 -40.28(12) . . . . ? C12 C11 Li1 C32 110.10(11) . . . . ? C16 C11 Li1 C32 -23.2(2) . . . . ? Li2 C11 Li1 C32 -63.84(11) . . . . ? Li4 C11 Li1 C32 -136.78(13) . . . . ? C12 C11 Li1 Li2 173.94(13) . . . . ? C16 C11 Li1 Li2 40.7(2) . . . . ? Li4 C11 Li1 Li2 -72.94(11) . . . . ? C12 C11 Li1 C17 -15.34(9) . . . . ? C16 C11 Li1 C17 -148.6(2) . . . . ? Li2 C11 Li1 C17 170.72(11) . . . . ? Li4 C11 Li1 C17 97.78(10) . . . . ? C12 C17 Li1 N11 -127.50(14) . . . . ? N11 C17 Li1 C31 99.1(3) . . . . ? C12 C17 Li1 C31 -28.4(3) . . . . ? N11 C17 Li1 C41 -109.10(14) . . . . ? C12 C17 Li1 C41 123.40(11) . . . . ? N11 C17 Li1 Li4 -161.29(15) . . . . ? C12 C17 Li1 Li4 71.21(11) . . . . ? N11 C17 Li1 Li3 -143.4(2) . . . . ? C12 C17 Li1 Li3 89.1(2) . . . . ? N11 C17 Li1 C32 64.04(15) . . . . ? C12 C17 Li1 C32 -63.46(15) . . . . ? N11 C17 Li1 Li2 150.00(16) . . . . ? C12 C17 Li1 Li2 22.50(13) . . . . ? N11 C17 Li1 C11 142.00(13) . . . . ? C12 C17 Li1 C11 14.50(8) . . . . ? C111 N12 Li2 C31 36.29(19) . . . . ? C112 N12 Li2 C31 -97.00(16) . . . . ? C110 N12 Li2 C31 150.52(14) . . . . ? C111 N12 Li2 C11 -79.06(14) . . . . ? C112 N12 Li2 C11 147.65(12) . . . . ? C110 N12 Li2 C11 35.18(11) . . . . ? C111 N12 Li2 C21 171.79(12) . . . . ? C112 N12 Li2 C21 38.50(17) . . . . ? C110 N12 Li2 C21 -73.98(12) . . . . ? C111 N12 Li2 Li4 -127.54(19) . . . . ? C112 N12 Li2 Li4 99.2(2) . . . . ? C110 N12 Li2 Li4 -13.3(2) . . . . ? C111 N12 Li2 Li3 107.5(3) . . . . ? C112 N12 Li2 Li3 -25.8(4) . . . . ? C110 N12 Li2 Li3 -138.3(3) . . . . ? C111 N12 Li2 C110 -114.23(15) . . . . ? C112 N12 Li2 C110 112.48(15) . . . . ? C111 N12 Li2 Li1 -29.2(3) . . . . ? C112 N12 Li2 Li1 -162.5(2) . . . . ? C110 N12 Li2 Li1 85.1(2) . . . . ? C111 N12 Li2 C16 -85.33(12) . . . . ? C112 N12 Li2 C16 141.38(13) . . . . ? C110 N12 Li2 C16 28.90(8) . . . . ? C32 C31 Li2 N12 -60.34(18) . . . . ? Li1 C31 Li2 N12 -136.08(16) . . . . ? Li3 C31 Li2 N12 150.06(16) . . . . ? C32 C31 Li2 C11 45.30(16) . . . . ? Li1 C31 Li2 C11 -30.43(12) . . . . ? Li3 C31 Li2 C11 -104.29(13) . . . . ? C32 C31 Li2 C21 168.66(13) . . . . ? Li1 C31 Li2 C21 92.92(14) . . . . ? Li3 C31 Li2 C21 19.06(13) . . . . ? C32 C31 Li2 Li4 108.11(14) . . . . ? Li1 C31 Li2 Li4 32.37(12) . . . . ? Li3 C31 Li2 Li4 -41.49(12) . . . . ? C32 C31 Li2 Li3 149.60(14) . . . . ? Li1 C31 Li2 Li3 73.86(11) . . . . ? C32 C31 Li2 C110 -29.6(3) . . . . ? Li1 C31 Li2 C110 -105.3(2) . . . . ? Li3 C31 Li2 C110 -179.2(2) . . . . ? C32 C31 Li2 Li1 75.74(13) . . . . ? Li3 C31 Li2 Li1 -73.86(11) . . . . ? C32 C31 Li2 C16 14.8(2) . . . . ? Li1 C31 Li2 C16 -60.97(15) . . . . ? Li3 C31 Li2 C16 -134.83(17) . . . . ? C12 C11 Li2 N12 135.0(2) . . . . ? C16 C11 Li2 N12 -10.57(12) . . . . ? Li4 C11 Li2 N12 -143.02(14) . . . . ? Li1 C11 Li2 N12 148.07(13) . . . . ? C12 C11 Li2 C31 14.3(3) . . . . ? C16 C11 Li2 C31 -131.29(13) . . . . ? Li4 C11 Li2 C31 96.26(13) . . . . ? Li1 C11 Li2 C31 27.35(11) . . . . ? C12 C11 Li2 C21 -115.1(3) . . . . ? C16 C11 Li2 C21 99.28(12) . . . . ? Li4 C11 Li2 C21 -33.17(10) . . . . ? Li1 C11 Li2 C21 -102.08(12) . . . . ? C12 C11 Li2 Li4 -81.9(3) . . . . ? C16 C11 Li2 Li4 132.45(12) . . . . ? Li1 C11 Li2 Li4 -68.91(11) . . . . ? C12 C11 Li2 Li3 -48.1(3) . . . . ? C16 C11 Li2 Li3 166.28(14) . . . . ? Li4 C11 Li2 Li3 33.83(12) . . . . ? Li1 C11 Li2 Li3 -35.08(12) . . . . ? C12 C11 Li2 C110 157.1(3) . . . . ? C16 C11 Li2 C110 11.49(9) . . . . ? Li4 C11 Li2 C110 -120.96(10) . . . . ? Li1 C11 Li2 C110 170.13(11) . . . . ? C12 C11 Li2 Li1 -13.0(3) . . . . ? C16 C11 Li2 Li1 -158.64(12) . . . . ? Li4 C11 Li2 Li1 68.91(11) . . . . ? C12 C11 Li2 C16 145.6(3) . . . . ? Li4 C11 Li2 C16 -132.45(12) . . . . ? Li1 C11 Li2 C16 158.64(12) . . . . ? C26 C21 Li2 N12 -75.94(15) . . . . ? C22 C21 Li2 N12 68.00(18) . . . . ? Li4 C21 Li2 N12 133.98(15) . . . . ? Li3 C21 Li2 N12 -153.17(15) . . . . ? C26 C21 Li2 C31 59.16(17) . . . . ? C22 C21 Li2 C31 -156.91(13) . . . . ? Li4 C21 Li2 C31 -90.93(15) . . . . ? Li3 C21 Li2 C31 -18.08(12) . . . . ? C26 C21 Li2 C11 -175.71(12) . . . . ? C22 C21 Li2 C11 -31.78(18) . . . . ? Li4 C21 Li2 C11 34.20(11) . . . . ? Li3 C21 Li2 C11 107.05(13) . . . . ? C26 C21 Li2 Li4 150.08(14) . . . . ? C22 C21 Li2 Li4 -65.98(15) . . . . ? Li3 C21 Li2 Li4 72.85(11) . . . . ? C26 C21 Li2 Li3 77.24(13) . . . . ? C22 C21 Li2 Li3 -138.83(15) . . . . ? Li4 C21 Li2 Li3 -72.85(11) . . . . ? C26 C21 Li2 C110 -110.60(12) . . . . ? C22 C21 Li2 C110 33.34(17) . . . . ? Li4 C21 Li2 C110 99.32(11) . . . . ? Li3 C21 Li2 C110 172.17(13) . . . . ? C26 C21 Li2 Li1 117.51(14) . . . . ? C22 C21 Li2 Li1 -98.55(16) . . . . ? Li4 C21 Li2 Li1 -32.57(12) . . . . ? Li3 C21 Li2 Li1 40.28(11) . . . . ? C26 C21 Li2 C16 -142.19(12) . . . . ? C22 C21 Li2 C16 1.74(18) . . . . ? Li4 C21 Li2 C16 67.72(11) . . . . ? Li3 C21 Li2 C16 140.57(13) . . . . ? C16 C110 Li2 N12 129.61(13) . . . . ? N12 C110 Li2 C31 -50.7(2) . . . . ? C16 C110 Li2 C31 78.9(2) . . . . ? N12 C110 Li2 C11 -140.51(13) . . . . ? C16 C110 Li2 C11 -10.90(8) . . . . ? N12 C110 Li2 C21 113.18(13) . . . . ? C16 C110 Li2 C21 -117.21(11) . . . . ? N12 C110 Li2 Li4 170.66(15) . . . . ? C16 C110 Li2 Li4 -59.73(12) . . . . ? N12 C110 Li2 Li3 131.1(4) . . . . ? C16 C110 Li2 Li3 -99.3(3) . . . . ? N12 C110 Li2 Li1 -129.43(18) . . . . ? C16 C110 Li2 Li1 0.18(16) . . . . ? N12 C110 Li2 C16 -129.61(13) . . . . ? N11 Li1 Li2 N12 -42.4(4) . . . . ? C31 Li1 Li2 N12 89.3(2) . . . . ? C41 Li1 Li2 N12 -164.4(2) . . . . ? Li4 Li1 Li2 N12 -127.4(2) . . . . ? Li3 Li1 Li2 N12 159.3(3) . . . . ? C32 Li1 Li2 N12 54.5(2) . . . . ? C11 Li1 Li2 N12 -58.6(2) . . . . ? C17 Li1 Li2 N12 -67.1(3) . . . . ? N11 Li1 Li2 C31 -131.7(2) . . . . ? C41 Li1 Li2 C31 106.35(13) . . . . ? Li4 Li1 Li2 C31 143.29(14) . . . . ? Li3 Li1 Li2 C31 69.99(11) . . . . ? C32 Li1 Li2 C31 -34.80(7) . . . . ? C11 Li1 Li2 C31 -147.93(13) . . . . ? C17 Li1 Li2 C31 -156.43(14) . . . . ? N11 Li1 Li2 C11 16.3(2) . . . . ? C31 Li1 Li2 C11 147.93(12) . . . . ? C41 Li1 Li2 C11 -105.72(12) . . . . ? Li4 Li1 Li2 C11 -68.78(10) . . . . ? Li3 Li1 Li2 C11 -142.08(13) . . . . ? C32 Li1 Li2 C11 113.13(10) . . . . ? C17 Li1 Li2 C11 -8.50(10) . . . . ? N11 Li1 Li2 C21 116.6(2) . . . . ? C31 Li1 Li2 C21 -111.72(13) . . . . ? C41 Li1 Li2 C21 -5.36(15) . . . . ? Li4 Li1 Li2 C21 31.57(11) . . . . ? Li3 Li1 Li2 C21 -41.73(12) . . . . ? C32 Li1 Li2 C21 -146.51(11) . . . . ? C11 Li1 Li2 C21 100.35(12) . . . . ? C17 Li1 Li2 C21 91.85(13) . . . . ? N11 Li1 Li2 Li4 85.0(2) . . . . ? C31 Li1 Li2 Li4 -143.29(14) . . . . ? C41 Li1 Li2 Li4 -36.94(11) . . . . ? Li3 Li1 Li2 Li4 -73.30(12) . . . . ? C32 Li1 Li2 Li4 -178.09(13) . . . . ? C11 Li1 Li2 Li4 68.78(10) . . . . ? C17 Li1 Li2 Li4 60.28(12) . . . . ? N11 Li1 Li2 Li3 158.3(2) . . . . ? C31 Li1 Li2 Li3 -69.99(11) . . . . ? C41 Li1 Li2 Li3 36.36(11) . . . . ? Li4 Li1 Li2 Li3 73.30(12) . . . . ? C32 Li1 Li2 Li3 -104.79(12) . . . . ? C11 Li1 Li2 Li3 142.08(13) . . . . ? C17 Li1 Li2 Li3 133.58(14) . . . . ? N11 Li1 Li2 C110 5.0(3) . . . . ? C31 Li1 Li2 C110 136.72(17) . . . . ? C41 Li1 Li2 C110 -116.93(15) . . . . ? Li4 Li1 Li2 C110 -79.99(16) . . . . ? Li3 Li1 Li2 C110 -153.29(18) . . . . ? C32 Li1 Li2 C110 101.92(15) . . . . ? C11 Li1 Li2 C110 -11.21(12) . . . . ? C17 Li1 Li2 C110 -19.7(2) . . . . ? N11 Li1 Li2 C16 5.1(2) . . . . ? C31 Li1 Li2 C16 136.82(12) . . . . ? C41 Li1 Li2 C16 -116.83(11) . . . . ? Li4 Li1 Li2 C16 -79.89(11) . . . . ? Li3 Li1 Li2 C16 -153.19(13) . . . . ? C32 Li1 Li2 C16 102.02(9) . . . . ? C11 Li1 Li2 C16 -11.11(6) . . . . ? C17 Li1 Li2 C16 -19.61(13) . . . . ? C15 C16 Li2 N12 66.9(5) . . . . ? C11 C16 Li2 N12 168.09(13) . . . . ? C110 C16 Li2 N12 -30.79(9) . . . . ? C15 C16 Li2 C31 -36.9(6) . . . . ? C11 C16 Li2 C31 64.25(16) . . . . ? C110 C16 Li2 C31 -134.63(17) . . . . ? C15 C16 Li2 C11 -101.2(5) . . . . ? C110 C16 Li2 C11 161.12(14) . . . . ? C15 C16 Li2 C21 167.4(4) . . . . ? C11 C16 Li2 C21 -91.41(13) . . . . ? C110 C16 Li2 C21 69.71(12) . . . . ? C15 C16 Li2 Li4 -141.1(5) . . . . ? C11 C16 Li2 Li4 -39.89(10) . . . . ? C110 C16 Li2 Li4 121.23(12) . . . . ? C15 C16 Li2 Li3 -122.6(5) . . . . ? C11 C16 Li2 Li3 -21.4(2) . . . . ? C110 C16 Li2 Li3 139.7(2) . . . . ? C15 C16 Li2 C110 97.7(5) . . . . ? C11 C16 Li2 C110 -161.12(14) . . . . ? C15 C16 Li2 Li1 -82.2(5) . . . . ? C11 C16 Li2 Li1 19.02(11) . . . . ? C110 C16 Li2 Li1 -179.86(13) . . . . ? C212 N22 Li3 C41 108.8(2) . . . . ? C211 N22 Li3 C41 -20.2(3) . . . . ? C210 N22 Li3 C41 -136.3(2) . . . . ? C212 N22 Li3 C31 -38.24(17) . . . . ? C211 N22 Li3 C31 -167.27(12) . . . . ? C210 N22 Li3 C31 76.64(13) . . . . ? C212 N22 Li3 Li2 -95.86(17) . . . . ? C211 N22 Li3 Li2 135.11(15) . . . . ? C210 N22 Li3 Li2 19.02(16) . . . . ? C212 N22 Li3 Li1 -25.7(5) . . . . ? C211 N22 Li3 Li1 -154.7(4) . . . . ? C210 N22 Li3 Li1 89.2(4) . . . . ? C212 N22 Li3 C21 -147.28(12) . . . . ? C211 N22 Li3 C21 83.70(14) . . . . ? C210 N22 Li3 C21 -32.40(11) . . . . ? C212 N22 Li3 Li4 -163.18(19) . . . . ? C211 N22 Li3 Li4 67.8(2) . . . . ? C210 N22 Li3 Li4 -48.3(2) . . . . ? C212 N22 Li3 C210 -114.88(16) . . . . ? C211 N22 Li3 C210 116.09(16) . . . . ? C42B C41 Li3 N22 2.0(3) . . . . ? C42A C41 Li3 N22 -54.0(3) . . . . ? Li4 C41 Li3 N22 126.0(2) . . . . ? Li1 C41 Li3 N22 -161.7(3) . . . . ? C42B C41 Li3 C31 147.76(18) . . . . ? C42A C41 Li3 C31 91.74(18) . . . . ? Li4 C41 Li3 C31 -88.21(13) . . . . ? Li1 C41 Li3 C31 -15.90(12) . . . . ? C42B C41 Li3 Li2 -154.49(18) . . . . ? C42A C41 Li3 Li2 149.48(18) . . . . ? Li4 C41 Li3 Li2 -30.47(13) . . . . ? Li1 C41 Li3 Li2 41.84(12) . . . . ? C42B C41 Li3 Li1 163.66(18) . . . . ? C42A C41 Li3 Li1 107.64(17) . . . . ? Li4 C41 Li3 Li1 -72.31(11) . . . . ? C42B C41 Li3 C21 -96.17(17) . . . . ? C42A C41 Li3 C21 -152.20(16) . . . . ? Li4 C41 Li3 C21 27.85(10) . . . . ? Li1 C41 Li3 C21 100.17(12) . . . . ? C42B C41 Li3 Li4 -124.03(17) . . . . ? C42A C41 Li3 Li4 179.95(18) . . . . ? Li1 C41 Li3 Li4 72.31(11) . . . . ? C42B C41 Li3 C210 -54.9(3) . . . . ? C42A C41 Li3 C210 -110.9(3) . . . . ? Li4 C41 Li3 C210 69.2(3) . . . . ? Li1 C41 Li3 C210 141.5(3) . . . . ? C32 C31 Li3 N22 160.7(2) . . . . ? Li1 C31 Li3 N22 174.22(15) . . . . ? Li2 C31 Li3 N22 -107.95(14) . . . . ? C32 C31 Li3 C41 3.3(3) . . . . ? Li1 C31 Li3 C41 16.76(13) . . . . ? Li2 C31 Li3 C41 94.60(14) . . . . ? C32 C31 Li3 Li2 -91.3(3) . . . . ? Li1 C31 Li3 Li2 -77.84(12) . . . . ? C32 C31 Li3 Li1 -13.5(3) . . . . ? Li2 C31 Li3 Li1 77.84(12) . . . . ? C32 C31 Li3 C21 -108.0(3) . . . . ? Li1 C31 Li3 C21 -94.54(13) . . . . ? Li2 C31 Li3 C21 -16.71(11) . . . . ? C32 C31 Li3 Li4 -52.6(3) . . . . ? Li1 C31 Li3 Li4 -39.13(12) . . . . ? Li2 C31 Li3 Li4 38.71(12) . . . . ? C32 C31 Li3 C210 -166.6(2) . . . . ? Li1 C31 Li3 C210 -153.09(13) . . . . ? Li2 C31 Li3 C210 -75.25(11) . . . . ? N12 Li2 Li3 N22 5.7(4) . . . . ? C31 Li2 Li3 N22 91.97(15) . . . . ? C11 Li2 Li3 N22 -167.25(13) . . . . ? C21 Li2 Li3 N22 -69.07(13) . . . . ? Li4 Li2 Li3 N22 -134.33(16) . . . . ? C110 Li2 Li3 N22 -89.2(4) . . . . ? Li1 Li2 Li3 N22 156.28(17) . . . . ? C16 Li2 Li3 N22 -155.22(17) . . . . ? N12 Li2 Li3 C41 169.0(3) . . . . ? C31 Li2 Li3 C41 -104.64(14) . . . . ? C11 Li2 Li3 C41 -3.87(18) . . . . ? C21 Li2 Li3 C41 94.31(13) . . . . ? Li4 Li2 Li3 C41 29.05(12) . . . . ? C110 Li2 Li3 C41 74.1(4) . . . . ? Li1 Li2 Li3 C41 -40.34(12) . . . . ? C16 Li2 Li3 C41 8.2(3) . . . . ? N12 Li2 Li3 C31 -86.3(3) . . . . ? C11 Li2 Li3 C31 100.77(14) . . . . ? C21 Li2 Li3 C31 -161.05(12) . . . . ? Li4 Li2 Li3 C31 133.70(13) . . . . ? C110 Li2 Li3 C31 178.8(4) . . . . ? Li1 Li2 Li3 C31 64.30(10) . . . . ? C16 Li2 Li3 C31 112.8(2) . . . . ? N12 Li2 Li3 Li1 -150.6(4) . . . . ? C31 Li2 Li3 Li1 -64.30(10) . . . . ? C11 Li2 Li3 Li1 36.47(13) . . . . ? C21 Li2 Li3 Li1 134.65(12) . . . . ? Li4 Li2 Li3 Li1 69.39(11) . . . . ? C110 Li2 Li3 Li1 114.5(3) . . . . ? C16 Li2 Li3 Li1 48.5(2) . . . . ? N12 Li2 Li3 C21 74.7(3) . . . . ? C31 Li2 Li3 C21 161.05(12) . . . . ? C11 Li2 Li3 C21 -98.18(13) . . . . ? Li4 Li2 Li3 C21 -65.25(10) . . . . ? C110 Li2 Li3 C21 -20.2(3) . . . . ? Li1 Li2 Li3 C21 -134.65(12) . . . . ? C16 Li2 Li3 C21 -86.1(2) . . . . ? N12 Li2 Li3 Li4 140.0(4) . . . . ? C31 Li2 Li3 Li4 -133.70(13) . . . . ? C11 Li2 Li3 Li4 -32.92(12) . . . . ? C21 Li2 Li3 Li4 65.25(10) . . . . ? C110 Li2 Li3 Li4 45.1(3) . . . . ? Li1 Li2 Li3 Li4 -69.39(11) . . . . ? C16 Li2 Li3 Li4 -20.9(2) . . . . ? N12 Li2 Li3 C210 16.2(3) . . . . ? C31 Li2 Li3 C210 102.50(10) . . . . ? C11 Li2 Li3 C210 -156.72(12) . . . . ? C21 Li2 Li3 C210 -58.55(8) . . . . ? Li4 Li2 Li3 C210 -123.80(12) . . . . ? C110 Li2 Li3 C210 -78.7(3) . . . . ? Li1 Li2 Li3 C210 166.81(13) . . . . ? C16 Li2 Li3 C210 -144.7(2) . . . . ? N11 Li1 Li3 N22 136.6(4) . . . . ? C31 Li1 Li3 N22 -15.0(4) . . . . ? C41 Li1 Li3 N22 146.5(4) . . . . ? Li4 Li1 Li3 N22 -148.7(4) . . . . ? C32 Li1 Li3 N22 -11.2(4) . . . . ? Li2 Li1 Li3 N22 -80.5(4) . . . . ? C11 Li1 Li3 N22 -111.0(4) . . . . ? C17 Li1 Li3 N22 -168.8(3) . . . . ? N11 Li1 Li3 C41 -9.9(4) . . . . ? C31 Li1 Li3 C41 -161.55(14) . . . . ? Li4 Li1 Li3 C41 64.80(10) . . . . ? C32 Li1 Li3 C41 -157.70(13) . . . . ? Li2 Li1 Li3 C41 132.95(14) . . . . ? C11 Li1 Li3 C41 102.45(12) . . . . ? C17 Li1 Li3 C41 44.70(19) . . . . ? N11 Li1 Li3 C31 151.6(4) . . . . ? C41 Li1 Li3 C31 161.55(14) . . . . ? Li4 Li1 Li3 C31 -133.65(13) . . . . ? C32 Li1 Li3 C31 3.85(8) . . . . ? Li2 Li1 Li3 C31 -65.50(10) . . . . ? C11 Li1 Li3 C31 -96.00(12) . . . . ? C17 Li1 Li3 C31 -153.8(2) . . . . ? N11 Li1 Li3 Li2 -142.9(4) . . . . ? C31 Li1 Li3 Li2 65.50(10) . . . . ? C41 Li1 Li3 Li2 -132.95(14) . . . . ? Li4 Li1 Li3 Li2 -68.15(11) . . . . ? C32 Li1 Li3 Li2 69.35(11) . . . . ? C11 Li1 Li3 Li2 -30.50(11) . . . . ? C17 Li1 Li3 Li2 -88.3(2) . . . . ? N11 Li1 Li3 C21 -105.0(4) . . . . ? C31 Li1 Li3 C21 103.41(12) . . . . ? C41 Li1 Li3 C21 -95.04(12) . . . . ? Li4 Li1 Li3 C21 -30.24(11) . . . . ? C32 Li1 Li3 C21 107.27(12) . . . . ? Li2 Li1 Li3 C21 37.91(11) . . . . ? C11 Li1 Li3 C21 7.42(14) . . . . ? C17 Li1 Li3 C21 -50.3(2) . . . . ? N11 Li1 Li3 Li4 -74.7(4) . . . . ? C31 Li1 Li3 Li4 133.65(13) . . . . ? C41 Li1 Li3 Li4 -64.80(10) . . . . ? C32 Li1 Li3 Li4 137.51(13) . . . . ? Li2 Li1 Li3 Li4 68.15(11) . . . . ? C11 Li1 Li3 Li4 37.66(10) . . . . ? C17 Li1 Li3 Li4 -20.10(18) . . . . ? N11 Li1 Li3 C210 -163.5(3) . . . . ? C31 Li1 Li3 C210 44.9(2) . . . . ? C41 Li1 Li3 C210 -153.6(2) . . . . ? Li4 Li1 Li3 C210 -88.8(2) . . . . ? C32 Li1 Li3 C210 48.7(2) . . . . ? Li2 Li1 Li3 C210 -20.6(2) . . . . ? C11 Li1 Li3 C210 -51.1(2) . . . . ? C17 Li1 Li3 C210 -108.9(2) . . . . ? C26 C21 Li3 N22 5.35(11) . . . . ? C22 C21 Li3 N22 -127.70(19) . . . . ? Li4 C21 Li3 N22 -167.10(13) . . . . ? Li2 C21 Li3 N22 120.35(13) . . . . ? C26 C21 Li3 C41 144.42(12) . . . . ? C22 C21 Li3 C41 11.4(2) . . . . ? Li4 C21 Li3 C41 -28.04(11) . . . . ? Li2 C21 Li3 C41 -100.58(13) . . . . ? C26 C21 Li3 C31 -98.64(13) . . . . ? C22 C21 Li3 C31 128.31(19) . . . . ? Li4 C21 Li3 C31 88.91(13) . . . . ? Li2 C21 Li3 C31 16.36(11) . . . . ? C26 C21 Li3 Li2 -115.00(12) . . . . ? C22 C21 Li3 Li2 111.9(2) . . . . ? Li4 C21 Li3 Li2 72.55(11) . . . . ? C26 C21 Li3 Li1 -155.31(13) . . . . ? C22 C21 Li3 Li1 71.6(2) . . . . ? Li4 C21 Li3 Li1 32.24(12) . . . . ? Li2 C21 Li3 Li1 -40.31(12) . . . . ? C26 C21 Li3 Li4 172.45(13) . . . . ? C22 C21 Li3 Li4 39.4(2) . . . . ? Li2 C21 Li3 Li4 -72.55(11) . . . . ? C26 C21 Li3 C210 -14.93(9) . . . . ? C22 C21 Li3 C210 -148.0(2) . . . . ? Li4 C21 Li3 C210 172.62(11) . . . . ? Li2 C21 Li3 C210 100.07(10) . . . . ? C26 C210 Li3 N22 -127.24(14) . . . . ? N22 C210 Li3 C41 92.2(3) . . . . ? C26 C210 Li3 C41 -35.0(3) . . . . ? N22 C210 Li3 C31 -108.96(14) . . . . ? C26 C210 Li3 C31 123.80(11) . . . . ? N22 C210 Li3 Li2 -162.27(15) . . . . ? C26 C210 Li3 Li2 70.48(11) . . . . ? N22 C210 Li3 Li1 -144.0(3) . . . . ? C26 C210 Li3 Li1 88.8(2) . . . . ? N22 C210 Li3 C21 141.30(13) . . . . ? C26 C210 Li3 C21 14.06(8) . . . . ? N22 C210 Li3 Li4 147.77(17) . . . . ? C26 C210 Li3 Li4 20.53(13) . . . . ? C29 N21 Li4 C41 34.90(19) . . . . ? C28 N21 Li4 C41 -98.70(16) . . . . ? C27 N21 Li4 C41 148.93(14) . . . . ? C29 N21 Li4 C21 -78.33(14) . . . . ? C28 N21 Li4 C21 148.07(12) . . . . ? C27 N21 Li4 C21 35.70(11) . . . . ? C29 N21 Li4 C11 172.09(12) . . . . ? C28 N21 Li4 C11 38.49(17) . . . . ? C27 N21 Li4 C11 -73.88(13) . . . . ? C29 N21 Li4 Li2 -127.4(2) . . . . ? C28 N21 Li4 Li2 99.0(2) . . . . ? C27 N21 Li4 Li2 -13.4(2) . . . . ? C29 N21 Li4 C27 -114.02(15) . . . . ? C28 N21 Li4 C27 112.37(15) . . . . ? C29 N21 Li4 Li1 105.8(3) . . . . ? C28 N21 Li4 Li1 -27.8(4) . . . . ? C27 N21 Li4 Li1 -140.1(3) . . . . ? C29 N21 Li4 Li3 -28.6(3) . . . . ? C28 N21 Li4 Li3 -162.2(2) . . . . ? C27 N21 Li4 Li3 85.5(2) . . . . ? C29 N21 Li4 C22 -84.82(12) . . . . ? C28 N21 Li4 C22 141.57(13) . . . . ? C27 N21 Li4 C22 29.20(8) . . . . ? C42B C41 Li4 N21 -68.0(2) . . . . ? C42A C41 Li4 N21 -136.6(5) . . . . ? Li3 C41 Li4 N21 -136.48(16) . . . . ? Li1 C41 Li4 N21 150.03(16) . . . . ? C42B C41 Li4 C21 36.5(2) . . . . ? C42A C41 Li4 C21 -32.2(6) . . . . ? Li3 C41 Li4 C21 -32.04(12) . . . . ? Li1 C41 Li4 C21 -105.54(13) . . . . ? C42B C41 Li4 C11 160.19(18) . . . . ? C42A C41 Li4 C11 91.6(5) . . . . ? Li3 C41 Li4 C11 91.70(15) . . . . ? Li1 C41 Li4 C11 18.20(13) . . . . ? C42B C41 Li4 Li2 99.5(2) . . . . ? C42A C41 Li4 Li2 30.9(5) . . . . ? Li3 C41 Li4 Li2 31.02(13) . . . . ? Li1 C41 Li4 Li2 -42.48(12) . . . . ? C42B C41 Li4 C27 -36.7(3) . . . . ? C42A C41 Li4 C27 -105.3(5) . . . . ? Li3 C41 Li4 C27 -105.2(2) . . . . ? Li1 C41 Li4 C27 -178.7(2) . . . . ? C42B C41 Li4 Li1 142.0(2) . . . . ? C42A C41 Li4 Li1 73.4(5) . . . . ? Li3 C41 Li4 Li1 73.50(11) . . . . ? C42B C41 Li4 Li3 68.50(19) . . . . ? C42A C41 Li4 Li3 -0.1(5) . . . . ? Li1 C41 Li4 Li3 -73.50(11) . . . . ? C42B C41 Li4 C22 5.9(3) . . . . ? C42A C41 Li4 C22 -62.7(6) . . . . ? Li3 C41 Li4 C22 -62.61(15) . . . . ? Li1 C41 Li4 C22 -136.10(17) . . . . ? C26 C21 Li4 N21 131.4(2) . . . . ? C22 C21 Li4 N21 -10.88(12) . . . . ? Li2 C21 Li4 N21 -143.31(13) . . . . ? Li3 C21 Li4 N21 147.77(13) . . . . ? C26 C21 Li4 C41 12.4(3) . . . . ? C22 C21 Li4 C41 -129.87(13) . . . . ? Li2 C21 Li4 C41 97.70(13) . . . . ? Li3 C21 Li4 C41 28.79(11) . . . . ? C26 C21 Li4 C11 -118.5(3) . . . . ? C22 C21 Li4 C11 99.23(12) . . . . ? Li2 C21 Li4 C11 -33.20(10) . . . . ? Li3 C21 Li4 C11 -102.11(12) . . . . ? C26 C21 Li4 Li2 -85.3(3) . . . . ? C22 C21 Li4 Li2 132.43(12) . . . . ? Li3 C21 Li4 Li2 -68.91(10) . . . . ? C26 C21 Li4 C27 153.8(3) . . . . ? C22 C21 Li4 C27 11.58(8) . . . . ? Li2 C21 Li4 C27 -120.85(10) . . . . ? Li3 C21 Li4 C27 170.23(11) . . . . ? C26 C21 Li4 Li1 -50.7(3) . . . . ? C22 C21 Li4 Li1 167.08(13) . . . . ? Li2 C21 Li4 Li1 34.65(12) . . . . ? Li3 C21 Li4 Li1 -34.27(12) . . . . ? C26 C21 Li4 Li3 -16.4(3) . . . . ? C22 C21 Li4 Li3 -158.65(12) . . . . ? Li2 C21 Li4 Li3 68.91(11) . . . . ? C26 C21 Li4 C22 142.2(3) . . . . ? Li2 C21 Li4 C22 -132.43(12) . . . . ? Li3 C21 Li4 C22 158.65(12) . . . . ? C12 C11 Li4 N21 -74.77(15) . . . . ? C16 C11 Li4 N21 67.34(18) . . . . ? Li2 C11 Li4 N21 134.72(15) . . . . ? Li1 C11 Li4 N21 -152.50(15) . . . . ? C12 C11 Li4 C41 60.38(17) . . . . ? C16 C11 Li4 C41 -157.51(14) . . . . ? Li2 C11 Li4 C41 -90.12(15) . . . . ? Li1 C11 Li4 C41 -17.34(13) . . . . ? C12 C11 Li4 C21 -175.10(12) . . . . ? C16 C11 Li4 C21 -32.99(19) . . . . ? Li2 C11 Li4 C21 34.40(11) . . . . ? Li1 C11 Li4 C21 107.18(13) . . . . ? C12 C11 Li4 Li2 150.50(14) . . . . ? C16 C11 Li4 Li2 -67.39(15) . . . . ? Li1 C11 Li4 Li2 72.78(11) . . . . ? C12 C11 Li4 C27 -109.69(12) . . . . ? C16 C11 Li4 C27 32.42(17) . . . . ? Li2 C11 Li4 C27 99.80(11) . . . . ? Li1 C11 Li4 C27 172.58(13) . . . . ? C12 C11 Li4 Li1 77.72(13) . . . . ? C16 C11 Li4 Li1 -140.16(15) . . . . ? Li2 C11 Li4 Li1 -72.78(11) . . . . ? C12 C11 Li4 Li3 118.58(14) . . . . ? C16 C11 Li4 Li3 -99.31(16) . . . . ? Li2 C11 Li4 Li3 -31.92(12) . . . . ? Li1 C11 Li4 Li3 40.85(12) . . . . ? C12 C11 Li4 C22 -141.28(12) . . . . ? C16 C11 Li4 C22 0.83(19) . . . . ? Li2 C11 Li4 C22 68.22(11) . . . . ? Li1 C11 Li4 C22 141.00(14) . . . . ? N12 Li2 Li4 N21 -21.0(3) . . . . ? C31 Li2 Li4 N21 173.95(17) . . . . ? C11 Li2 Li4 N21 -81.0(2) . . . . ? C21 Li2 Li4 N21 60.47(19) . . . . ? Li3 Li2 Li4 N21 134.6(2) . . . . ? C110 Li2 Li4 N21 -28.9(2) . . . . ? Li1 Li2 Li4 N21 -155.9(2) . . . . ? C16 Li2 Li4 N21 -57.9(2) . . . . ? N12 Li2 Li4 C41 175.58(17) . . . . ? C31 Li2 Li4 C41 10.49(16) . . . . ? C11 Li2 Li4 C41 115.57(13) . . . . ? C21 Li2 Li4 C41 -102.99(13) . . . . ? Li3 Li2 Li4 C41 -28.84(12) . . . . ? C110 Li2 Li4 C41 167.64(11) . . . . ? Li1 Li2 Li4 C41 40.66(12) . . . . ? C16 Li2 Li4 C41 138.69(11) . . . . ? N12 Li2 Li4 C21 -81.4(2) . . . . ? C31 Li2 Li4 C21 113.48(12) . . . . ? C11 Li2 Li4 C21 -141.45(11) . . . . ? Li3 Li2 Li4 C21 74.15(10) . . . . ? C110 Li2 Li4 C21 -89.37(10) . . . . ? Li1 Li2 Li4 C21 143.64(12) . . . . ? C16 Li2 Li4 C21 -118.32(10) . . . . ? N12 Li2 Li4 C11 60.01(19) . . . . ? C31 Li2 Li4 C11 -105.08(12) . . . . ? C21 Li2 Li4 C11 141.45(11) . . . . ? Li3 Li2 Li4 C11 -144.40(13) . . . . ? C110 Li2 Li4 C11 52.08(9) . . . . ? Li1 Li2 Li4 C11 -74.91(10) . . . . ? C16 Li2 Li4 C11 23.13(6) . . . . ? N12 Li2 Li4 C27 -29.0(2) . . . . ? C31 Li2 Li4 C27 165.91(11) . . . . ? C11 Li2 Li4 C27 -89.01(11) . . . . ? C21 Li2 Li4 C27 52.44(9) . . . . ? Li3 Li2 Li4 C27 126.59(13) . . . . ? C110 Li2 Li4 C27 -36.93(13) . . . . ? Li1 Li2 Li4 C27 -163.92(13) . . . . ? C16 Li2 Li4 C27 -65.88(10) . . . . ? N12 Li2 Li4 Li1 134.9(2) . . . . ? C31 Li2 Li4 Li1 -30.17(11) . . . . ? C11 Li2 Li4 Li1 74.91(10) . . . . ? C21 Li2 Li4 Li1 -143.64(12) . . . . ? Li3 Li2 Li4 Li1 -69.49(11) . . . . ? C110 Li2 Li4 Li1 126.99(12) . . . . ? C16 Li2 Li4 Li1 98.04(10) . . . . ? N12 Li2 Li4 Li3 -155.6(2) . . . . ? C31 Li2 Li4 Li3 39.33(11) . . . . ? C11 Li2 Li4 Li3 144.40(13) . . . . ? C21 Li2 Li4 Li3 -74.15(10) . . . . ? C110 Li2 Li4 Li3 -163.52(13) . . . . ? Li1 Li2 Li4 Li3 69.49(11) . . . . ? C16 Li2 Li4 Li3 167.53(12) . . . . ? N12 Li2 Li4 C22 -58.2(2) . . . . ? C31 Li2 Li4 C22 136.75(11) . . . . ? C11 Li2 Li4 C22 -118.17(10) . . . . ? C21 Li2 Li4 C22 23.27(6) . . . . ? Li3 Li2 Li4 C22 97.42(11) . . . . ? C110 Li2 Li4 C22 -66.10(10) . . . . ? Li1 Li2 Li4 C22 166.92(12) . . . . ? C16 Li2 Li4 C22 -95.05(8) . . . . ? C22 C27 Li4 N21 129.02(13) . . . . ? N21 C27 Li4 C41 -52.0(2) . . . . ? C22 C27 Li4 C41 77.0(2) . . . . ? N21 C27 Li4 C21 -140.05(12) . . . . ? C22 C27 Li4 C21 -11.04(8) . . . . ? N21 C27 Li4 C11 113.33(13) . . . . ? C22 C27 Li4 C11 -117.65(11) . . . . ? N21 C27 Li4 Li2 170.72(15) . . . . ? C22 C27 Li4 Li2 -60.26(12) . . . . ? N21 C27 Li4 Li1 130.9(4) . . . . ? C22 C27 Li4 Li1 -100.1(4) . . . . ? N21 C27 Li4 Li3 -129.17(18) . . . . ? C22 C27 Li4 Li3 -0.15(16) . . . . ? N21 C27 Li4 C22 -129.02(13) . . . . ? N11 Li1 Li4 N21 6.3(4) . . . . ? C31 Li1 Li4 N21 171.9(3) . . . . ? C41 Li1 Li4 N21 -85.5(3) . . . . ? Li3 Li1 Li4 N21 -149.1(3) . . . . ? C32 Li1 Li4 N21 144.2(3) . . . . ? Li2 Li1 Li4 N21 141.7(3) . . . . ? C11 Li1 Li4 N21 76.8(3) . . . . ? C17 Li1 Li4 N21 17.2(3) . . . . ? N11 Li1 Li4 C41 91.84(14) . . . . ? C31 Li1 Li4 C41 -102.55(13) . . . . ? Li3 Li1 Li4 C41 -63.57(10) . . . . ? C32 Li1 Li4 C41 -130.24(19) . . . . ? Li2 Li1 Li4 C41 -132.76(13) . . . . ? C11 Li1 Li4 C41 162.36(13) . . . . ? C17 Li1 Li4 C41 102.75(10) . . . . ? N11 Li1 Li4 C21 -169.18(12) . . . . ? C31 Li1 Li4 C21 -3.57(17) . . . . ? C41 Li1 Li4 C21 98.98(13) . . . . ? Li3 Li1 Li4 C21 35.41(12) . . . . ? C32 Li1 Li4 C21 -31.3(2) . . . . ? Li2 Li1 Li4 C21 -33.78(11) . . . . ? C11 Li1 Li4 C21 -98.66(13) . . . . ? C17 Li1 Li4 C21 -158.27(12) . . . . ? N11 Li1 Li4 C11 -70.52(12) . . . . ? C31 Li1 Li4 C11 95.09(12) . . . . ? C41 Li1 Li4 C11 -162.36(13) . . . . ? Li3 Li1 Li4 C11 134.06(12) . . . . ? C32 Li1 Li4 C11 67.39(17) . . . . ? Li2 Li1 Li4 C11 64.88(9) . . . . ? C17 Li1 Li4 C11 -59.61(8) . . . . ? N11 Li1 Li4 Li2 -135.40(15) . . . . ? C31 Li1 Li4 Li2 30.22(11) . . . . ? C41 Li1 Li4 Li2 132.76(13) . . . . ? Li3 Li1 Li4 Li2 69.19(11) . . . . ? C32 Li1 Li4 Li2 2.52(17) . . . . ? C11 Li1 Li4 Li2 -64.88(9) . . . . ? C17 Li1 Li4 Li2 -124.48(11) . . . . ? N11 Li1 Li4 C27 -90.1(4) . . . . ? C31 Li1 Li4 C27 75.5(4) . . . . ? C41 Li1 Li4 C27 178.0(4) . . . . ? Li3 Li1 Li4 C27 114.4(4) . . . . ? C32 Li1 Li4 C27 47.8(4) . . . . ? Li2 Li1 Li4 C27 45.2(3) . . . . ? C11 Li1 Li4 C27 -19.6(3) . . . . ? C17 Li1 Li4 C27 -79.2(4) . . . . ? N11 Li1 Li4 Li3 155.41(16) . . . . ? C31 Li1 Li4 Li3 -38.97(11) . . . . ? C41 Li1 Li4 Li3 63.57(11) . . . . ? C32 Li1 Li4 Li3 -66.67(18) . . . . ? Li2 Li1 Li4 Li3 -69.19(11) . . . . ? C11 Li1 Li4 Li3 -134.06(12) . . . . ? C17 Li1 Li4 Li3 166.33(12) . . . . ? N11 Li1 Li4 C22 -157.64(17) . . . . ? C31 Li1 Li4 C22 8.0(3) . . . . ? C41 Li1 Li4 C22 110.5(2) . . . . ? Li3 Li1 Li4 C22 47.0(2) . . . . ? C32 Li1 Li4 C22 -19.7(3) . . . . ? Li2 Li1 Li4 C22 -22.2(2) . . . . ? C11 Li1 Li4 C22 -87.1(2) . . . . ? C17 Li1 Li4 C22 -146.7(2) . . . . ? N22 Li3 Li4 N21 -39.1(4) . . . . ? C41 Li3 Li4 N21 86.8(2) . . . . ? C31 Li3 Li4 N21 -165.3(2) . . . . ? Li2 Li3 Li4 N21 -128.3(2) . . . . ? Li1 Li3 Li4 N21 158.1(2) . . . . ? C21 Li3 Li4 N21 -58.9(2) . . . . ? C210 Li3 Li4 N21 -65.7(3) . . . . ? N22 Li3 Li4 C41 -125.9(2) . . . . ? C31 Li3 Li4 C41 107.92(13) . . . . ? Li2 Li3 Li4 C41 144.90(14) . . . . ? Li1 Li3 Li4 C41 71.33(11) . . . . ? C21 Li3 Li4 C41 -145.63(13) . . . . ? C210 Li3 Li4 C41 -152.47(15) . . . . ? N22 Li3 Li4 C21 19.7(2) . . . . ? C41 Li3 Li4 C21 145.63(13) . . . . ? C31 Li3 Li4 C21 -106.44(12) . . . . ? Li2 Li3 Li4 C21 -69.46(10) . . . . ? Li1 Li3 Li4 C21 -143.04(13) . . . . ? C210 Li3 Li4 C21 -6.84(10) . . . . ? N22 Li3 Li4 C11 120.2(2) . . . . ? C41 Li3 Li4 C11 -113.95(13) . . . . ? C31 Li3 Li4 C11 -6.03(15) . . . . ? Li2 Li3 Li4 C11 30.95(11) . . . . ? Li1 Li3 Li4 C11 -42.62(12) . . . . ? C21 Li3 Li4 C11 100.42(12) . . . . ? C210 Li3 Li4 C11 93.58(13) . . . . ? N22 Li3 Li4 Li2 89.2(2) . . . . ? C41 Li3 Li4 Li2 -144.90(14) . . . . ? C31 Li3 Li4 Li2 -36.98(11) . . . . ? Li1 Li3 Li4 Li2 -73.57(12) . . . . ? C21 Li3 Li4 Li2 69.46(10) . . . . ? C210 Li3 Li4 Li2 62.63(12) . . . . ? N22 Li3 Li4 C27 8.6(3) . . . . ? C41 Li3 Li4 C27 134.54(17) . . . . ? C31 Li3 Li4 C27 -117.54(15) . . . . ? Li2 Li3 Li4 C27 -80.56(16) . . . . ? Li1 Li3 Li4 C27 -154.13(17) . . . . ? C21 Li3 Li4 C27 -11.09(12) . . . . ? C210 Li3 Li4 C27 -17.9(2) . . . . ? N22 Li3 Li4 Li1 162.8(2) . . . . ? C41 Li3 Li4 Li1 -71.33(11) . . . . ? C31 Li3 Li4 Li1 36.59(11) . . . . ? Li2 Li3 Li4 Li1 73.57(12) . . . . ? C21 Li3 Li4 Li1 143.04(13) . . . . ? C210 Li3 Li4 Li1 136.20(14) . . . . ? N22 Li3 Li4 C22 8.6(2) . . . . ? C41 Li3 Li4 C22 134.45(12) . . . . ? C31 Li3 Li4 C22 -117.62(11) . . . . ? Li2 Li3 Li4 C22 -80.64(11) . . . . ? Li1 Li3 Li4 C22 -154.22(13) . . . . ? C21 Li3 Li4 C22 -11.18(6) . . . . ? C210 Li3 Li4 C22 -18.01(13) . . . . ? C23 C22 Li4 N21 64.4(5) . . . . ? C21 C22 Li4 N21 167.76(13) . . . . ? C27 C22 Li4 N21 -31.28(9) . . . . ? C23 C22 Li4 C41 -38.6(5) . . . . ? C21 C22 Li4 C41 64.79(16) . . . . ? C27 C22 Li4 C41 -134.24(17) . . . . ? C23 C22 Li4 C21 -103.4(5) . . . . ? C27 C22 Li4 C21 160.96(14) . . . . ? C23 C22 Li4 C11 165.0(4) . . . . ? C21 C22 Li4 C11 -91.68(13) . . . . ? C27 C22 Li4 C11 69.28(12) . . . . ? C23 C22 Li4 Li2 -143.4(4) . . . . ? C21 C22 Li4 Li2 -40.03(10) . . . . ? C27 C22 Li4 Li2 120.93(12) . . . . ? C23 C22 Li4 C27 95.7(5) . . . . ? C21 C22 Li4 C27 -160.96(14) . . . . ? C23 C22 Li4 Li1 -123.7(4) . . . . ? C21 C22 Li4 Li1 -20.3(2) . . . . ? C27 C22 Li4 Li1 140.6(2) . . . . ? C23 C22 Li4 Li3 -84.4(5) . . . . ? C21 C22 Li4 Li3 18.92(11) . . . . ? C27 C22 Li4 Li3 179.88(13) . . . . ? _diffrn_measured_fraction_theta_max 0.987 _diffrn_reflns_theta_full 27.50 _diffrn_measured_fraction_theta_full 0.987 _refine_diff_density_max 0.293 _refine_diff_density_min -0.244 _refine_diff_density_rms 0.048 data_s3709a _database_code_depnum_ccdc_archive 'CCDC 615197' _database_code_depnum_ccdc_archive 'CCDC 615197' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C24 H38 Li2 N4' _chemical_formula_sum 'C24 H38 Li2 N4' _chemical_formula_weight 396.46 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' Li Li -0.0003 0.0001 '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' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 2/c' _symmetry_space_group_name_Hall '-P 2yc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' _cell_length_a 41.945(2) _cell_length_b 10.4363(4) _cell_length_c 17.8074(5) _cell_angle_alpha 90.00 _cell_angle_beta 102.196(3) _cell_angle_gamma 90.00 _cell_volume 7619.4(5) _cell_formula_units_Z 12 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 19344 _cell_measurement_theta_min 1.99 _cell_measurement_theta_max 21.00 _exptl_crystal_description plate _exptl_crystal_colour colourless _exptl_crystal_size_max 0.60 _exptl_crystal_size_mid 0.51 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.037 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2592 _exptl_absorpt_coefficient_mu 0.060 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.44 _exptl_absorpt_correction_T_max 1.00 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius KappaCCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 42242 _diffrn_reflns_av_R_equivalents 0.0651 _diffrn_reflns_av_sigmaI/netI 0.0508 _diffrn_reflns_limit_h_min -42 _diffrn_reflns_limit_h_max 42 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 1.69 _diffrn_reflns_theta_max 21.01 _reflns_number_total 8191 _reflns_number_gt 6888 _reflns_threshold_expression I>2\s(I) _computing_data_collection 'Nonius COLLECT' _computing_cell_refinement Peakref _computing_data_reduction 'Pixel15, Sadabs' _computing_structure_solution SHELXD _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. The following restraints were used in the SHELXL-97 refinement: ISOR 0.02 N11 > Li42 FLAT 0.01 C11 C12 C13 C14 C15 C16 FLAT 0.01 C113 C114 C115 C116 C117 C118 FLAT 0.01 C21 C22 C23 C24 C25 C26 FLAT 0.01 C213 C214 C215 C216 C217 C218 FLAT 0.01 C31 C32 C33 C34 C35 C36 FLAT 0.01 C41 C42 C43 C44 C45 C46 SADI 0.01 C11 C12 C11 C16 C113 C114 C113 C118 = C21 C22 C21 C26 C213 C214 C213 C218 = C31 C32 C31 C36 = C41 C42 C41 C46 SADI 0.01 C12 C13 C15 C16 C114 C115 C117 C118 = C22 C23 C25 C26 C214 C215 C217 C218 = C32 C33 C35 C36 = C42 C43 C45 C46 SADI 0.01 C13 C14 C14 C15 C115 C116 C116 C117 = C23 C24 C24 C25 C215 C216 C216 C217 = C33 C34 C34 C35 = C43 C44 C44 C45 SADI 0.01 C12 C17 C16 C110 C114 C119 C118 C122 = C22 C27 C26 C210 C214 C219 C218 C222 = C32 C37 C36 C310 = C42 C47 C46 C410 SADI 0.01 C17 N11 C110 N12 C119 N13 C122 N14 = C27 N21 C210 N22 C219 N23 C222 N24 = C37 N31 C310 N32 = C47 N41 C410 N42 SADI 0.001 N11 C18 N11 C19 N12 C111 N12 C112 = N13 C120 N13 C121 N14 C123 N14 C124 = N21 C28 N21 C29 N22 C211 N22 C212 = N23 C220 N23 C221 N24 C223 N24 C224 = N31 C38 N31 C39 N32 C311 N32 C312 = N41 C48 N41 C49 N42 C411 N42 C412 ; _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^)+(0.0960P)^2^+5.5250P] 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 8191 _refine_ls_number_parameters 838 _refine_ls_number_restraints 1176 _refine_ls_R_factor_all 0.0878 _refine_ls_R_factor_gt 0.0706 _refine_ls_wR_factor_ref 0.1823 _refine_ls_wR_factor_gt 0.1681 _refine_ls_goodness_of_fit_ref 1.107 _refine_ls_restrained_S_all 1.057 _refine_ls_shift/su_max 0.001 _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 N11 N 0.30540(11) 0.6854(4) 0.3967(2) 0.0510(13) Uani 1 1 d DU . . N12 N 0.35322(8) 0.9449(4) 0.1676(2) 0.0399(11) Uani 1 1 d DU . . N13 N 0.30107(9) 1.1118(4) 0.2729(2) 0.0458(12) Uani 1 1 d DU . . N14 N 0.39144(10) 0.7460(4) 0.42536(19) 0.0466(12) Uani 1 1 d DU . . C11 C 0.31869(10) 0.7530(4) 0.2441(3) 0.0378(13) Uani 1 1 d DU . . C12 C 0.29229(10) 0.6776(4) 0.2542(2) 0.0421(14) Uani 1 1 d DU . . C13 C 0.27809(12) 0.5862(5) 0.2006(3) 0.0613(18) Uani 1 1 d DU . . H13 H 0.2603 0.5368 0.2097 0.074 Uiso 1 1 calc R . . C14 C 0.28958(13) 0.5662(5) 0.1339(3) 0.0608(17) Uani 1 1 d DU . . H14 H 0.2797 0.5045 0.0971 0.073 Uiso 1 1 calc R . . C15 C 0.31570(12) 0.6383(5) 0.1226(3) 0.0481(15) Uani 1 1 d DU . . H15 H 0.3242 0.6252 0.0777 0.058 Uiso 1 1 calc R . . C16 C 0.32975(10) 0.7298(4) 0.1760(2) 0.0388(14) Uani 1 1 d DU . . C17 C 0.27937(12) 0.7006(6) 0.3264(3) 0.0534(16) Uani 1 1 d DU . . H17A H 0.2703 0.7883 0.3251 0.064 Uiso 1 1 calc R . . H17B H 0.2615 0.6393 0.3281 0.064 Uiso 1 1 calc R . . C18 C 0.31402(16) 0.5494(4) 0.4077(4) 0.0696(19) Uani 1 1 d DU . . H18A H 0.2948 0.5004 0.4136 0.104 Uiso 1 1 calc R . . H18B H 0.3313 0.5394 0.4539 0.104 Uiso 1 1 calc R . . H18C H 0.3218 0.5176 0.3629 0.104 Uiso 1 1 calc R . . C19 C 0.29422(17) 0.7338(6) 0.4641(3) 0.074(2) Uani 1 1 d DU . . H19A H 0.2919 0.8271 0.4605 0.111 Uiso 1 1 calc R . . H19B H 0.3102 0.7113 0.5108 0.111 Uiso 1 1 calc R . . H19C H 0.2731 0.6951 0.4659 0.111 Uiso 1 1 calc R . . C110 C 0.35896(12) 0.8047(4) 0.1637(3) 0.0410(14) Uani 1 1 d DU . . H11A H 0.3783 0.7806 0.2035 0.049 Uiso 1 1 calc R . . H11B H 0.3635 0.7829 0.1129 0.049 Uiso 1 1 calc R . . C111 C 0.32999(12) 0.9872(6) 0.0985(2) 0.0535(16) Uani 1 1 d DU . . H11C H 0.3262 1.0795 0.1018 0.080 Uiso 1 1 calc R . . H11D H 0.3093 0.9412 0.0945 0.080 Uiso 1 1 calc R . . H11E H 0.3389 0.9691 0.0530 0.080 Uiso 1 1 calc R . . C112 C 0.38421(11) 1.0136(6) 0.1746(4) 0.0591(17) Uani 1 1 d DU . . H11F H 0.3932 0.9970 0.1291 0.089 Uiso 1 1 calc R . . H11G H 0.3996 0.9840 0.2206 0.089 Uiso 1 1 calc R . . H11H H 0.3805 1.1058 0.1788 0.089 Uiso 1 1 calc R . . C113 C 0.35775(10) 0.9923(4) 0.3842(2) 0.0319(13) Uani 1 1 d DU . . C114 C 0.34239(11) 1.1080(4) 0.3946(2) 0.0387(13) Uani 1 1 d DU . . C115 C 0.35829(14) 1.2080(5) 0.4380(3) 0.0517(16) Uani 1 1 d DU . . H115 H 0.3469 1.2849 0.4437 0.062 Uiso 1 1 calc R . . C116 C 0.39077(14) 1.1953(6) 0.4729(3) 0.0571(17) Uani 1 1 d DU . . H116 H 0.4019 1.2641 0.5021 0.068 Uiso 1 1 calc R . . C117 C 0.40699(13) 1.0827(5) 0.4655(3) 0.0485(16) Uani 1 1 d DU . . H117 H 0.4291 1.0724 0.4910 0.058 Uiso 1 1 calc R . . C118 C 0.39073(11) 0.9843(4) 0.4205(2) 0.0364(14) Uani 1 1 d DU . . C119 C 0.30667(12) 1.1203(6) 0.3582(3) 0.0518(16) Uani 1 1 d DU . . H11I H 0.2944 1.0513 0.3776 0.062 Uiso 1 1 calc R . . H11J H 0.2984 1.2035 0.3728 0.062 Uiso 1 1 calc R . . C120 C 0.31268(16) 1.2298(4) 0.2428(3) 0.0613(18) Uani 1 1 d DU . . H12A H 0.3010 1.3034 0.2580 0.092 Uiso 1 1 calc R . . H12B H 0.3087 1.2251 0.1866 0.092 Uiso 1 1 calc R . . H12C H 0.3361 1.2397 0.2637 0.092 Uiso 1 1 calc R . . C121 C 0.26621(9) 1.0923(7) 0.2410(4) 0.078(2) Uani 1 1 d DU . . H12D H 0.2591 1.0116 0.2604 0.117 Uiso 1 1 calc R . . H12E H 0.2624 1.0890 0.1848 0.117 Uiso 1 1 calc R . . H12F H 0.2537 1.1634 0.2564 0.117 Uiso 1 1 calc R . . C122 C 0.40917(12) 0.8625(5) 0.4100(3) 0.0464(15) Uani 1 1 d DU . . H12G H 0.4126 0.8591 0.3567 0.056 Uiso 1 1 calc R . . H12H H 0.4309 0.8643 0.4452 0.056 Uiso 1 1 calc R . . C123 C 0.40749(16) 0.6326(5) 0.4016(4) 0.072(2) Uani 1 1 d DU . . H12I H 0.4298 0.6266 0.4322 0.107 Uiso 1 1 calc R . . H12J H 0.4081 0.6399 0.3470 0.107 Uiso 1 1 calc R . . H12K H 0.3953 0.5556 0.4096 0.107 Uiso 1 1 calc R . . C124 C 0.39167(15) 0.7395(6) 0.5078(2) 0.0538(16) Uani 1 1 d DU . . H12L H 0.4142 0.7367 0.5370 0.081 Uiso 1 1 calc R . . H12M H 0.3801 0.6621 0.5185 0.081 Uiso 1 1 calc R . . H12N H 0.3808 0.8153 0.5229 0.081 Uiso 1 1 calc R . . Li11 Li 0.3438(2) 0.7893(8) 0.3641(5) 0.040(2) Uani 1 1 d U . . Li12 Li 0.3319(2) 0.9531(9) 0.2641(5) 0.042(2) Uani 1 1 d U . . N21 N 0.89866(9) 0.2672(3) 0.47327(18) 0.0391(11) Uani 1 1 d DU . . N22 N 0.79957(8) -0.0806(4) 0.5104(2) 0.0426(11) Uani 1 1 d DU . . N23 N 0.84301(8) 0.0770(4) 0.6783(2) 0.0437(12) Uani 1 1 d DU . . N24 N 0.81789(9) 0.3521(3) 0.39893(18) 0.0364(11) Uani 1 1 d DU . . C21 C 0.86074(11) 0.0278(4) 0.4726(2) 0.0328(13) Uani 1 1 d DU . . C22 C 0.89435(10) 0.0312(4) 0.4736(2) 0.0321(13) Uani 1 1 d DU . . C23 C 0.91049(13) -0.0679(5) 0.4448(2) 0.0433(14) Uani 1 1 d DU . . H23 H 0.9332 -0.0616 0.4462 0.052 Uiso 1 1 calc R . . C24 C 0.89332(13) -0.1756(5) 0.4140(3) 0.0468(15) Uani 1 1 d DU . . H24 H 0.9042 -0.2441 0.3947 0.056 Uiso 1 1 calc R . . C25 C 0.86038(13) -0.1827(5) 0.4118(2) 0.0409(14) Uani 1 1 d DU . . H25 H 0.8484 -0.2564 0.3909 0.049 Uiso 1 1 calc R . . C26 C 0.84456(11) -0.0823(4) 0.4398(2) 0.0356(13) Uani 1 1 d DU . . C27 C 0.91361(12) 0.1476(4) 0.5079(3) 0.0401(14) Uani 1 1 d DU . . H27A H 0.9147 0.1495 0.5640 0.048 Uiso 1 1 calc R . . H27B H 0.9362 0.1412 0.4996 0.048 Uiso 1 1 calc R . . C28 C 0.90174(14) 0.2742(5) 0.3928(2) 0.0493(15) Uani 1 1 d DU . . H28A H 0.9249 0.2728 0.3905 0.074 Uiso 1 1 calc R . . H28B H 0.8918 0.3537 0.3698 0.074 Uiso 1 1 calc R . . H28C H 0.8906 0.2007 0.3645 0.074 Uiso 1 1 calc R . . C29 C 0.91494(14) 0.3782(4) 0.5153(3) 0.0573(17) Uani 1 1 d DU . . H29A H 0.9382 0.3768 0.5139 0.086 Uiso 1 1 calc R . . H29B H 0.9125 0.3746 0.5688 0.086 Uiso 1 1 calc R . . H29C H 0.9050 0.4572 0.4914 0.086 Uiso 1 1 calc R . . C210 C 0.80845(12) -0.0882(5) 0.4338(3) 0.0470(15) Uani 1 1 d DU . . H21A H 0.7980 -0.0166 0.4013 0.056 Uiso 1 1 calc R . . H21B H 0.8000 -0.1694 0.4085 0.056 Uiso 1 1 calc R . . C211 C 0.81042(16) -0.1991(4) 0.5523(3) 0.0642(18) Uani 1 1 d DU . . H21C H 0.7987 -0.2722 0.5248 0.096 Uiso 1 1 calc R . . H21D H 0.8058 -0.1943 0.6040 0.096 Uiso 1 1 calc R . . H21E H 0.8339 -0.2101 0.5562 0.096 Uiso 1 1 calc R . . C212 C 0.76426(9) -0.0638(7) 0.5018(4) 0.0682(19) Uani 1 1 d DU . . H21F H 0.7576 0.0171 0.4753 0.102 Uiso 1 1 calc R . . H21G H 0.7588 -0.0624 0.5526 0.102 Uiso 1 1 calc R . . H21H H 0.7528 -0.1351 0.4717 0.102 Uiso 1 1 calc R . . C213 C 0.82008(10) 0.2776(4) 0.5622(2) 0.0336(13) Uani 1 1 d DU . . C214 C 0.82755(9) 0.3015(4) 0.6419(2) 0.0345(13) Uani 1 1 d DU . . C215 C 0.81384(10) 0.4025(4) 0.6753(3) 0.0391(13) Uani 1 1 d DU . . H215 H 0.8196 0.4147 0.7293 0.047 Uiso 1 1 calc R . . C216 C 0.79193(11) 0.4854(5) 0.6304(3) 0.0407(14) Uani 1 1 d DU . . H216 H 0.7826 0.5545 0.6530 0.049 Uiso 1 1 calc R . . C217 C 0.78388(11) 0.4651(4) 0.5517(3) 0.0402(14) Uani 1 1 d DU . . H217 H 0.7689 0.5211 0.5202 0.048 Uiso 1 1 calc R . . C218 C 0.79749(10) 0.3634(4) 0.5182(2) 0.0367(13) Uani 1 1 d DU . . C219 C 0.85216(12) 0.2138(4) 0.6910(3) 0.0424(14) Uani 1 1 d DU . . H21I H 0.8738 0.2279 0.6788 0.051 Uiso 1 1 calc R . . H21J H 0.8538 0.2353 0.7458 0.051 Uiso 1 1 calc R . . C220 C 0.81394(12) 0.0499(6) 0.7092(3) 0.0627(18) Uani 1 1 d DU . . H22A H 0.8187 0.0667 0.7646 0.094 Uiso 1 1 calc R . . H22B H 0.8077 -0.0401 0.6999 0.094 Uiso 1 1 calc R . . H22C H 0.7960 0.1050 0.6838 0.094 Uiso 1 1 calc R . . C221 C 0.87040(14) -0.0047(6) 0.7147(3) 0.0682(19) Uani 1 1 d DU . . H22D H 0.8895 0.0152 0.6933 0.102 Uiso 1 1 calc R . . H22E H 0.8644 -0.0949 0.7050 0.102 Uiso 1 1 calc R . . H22F H 0.8756 0.0111 0.7702 0.102 Uiso 1 1 calc R . . C222 C 0.78880(11) 0.3424(5) 0.4325(2) 0.0369(13) Uani 1 1 d DU . . H22G H 0.7788 0.2566 0.4215 0.044 Uiso 1 1 calc R . . H22H H 0.7726 0.4072 0.4086 0.044 Uiso 1 1 calc R . . C223 C 0.81042(14) 0.3077(5) 0.3190(2) 0.0497(15) Uani 1 1 d DU . . H22I H 0.8031 0.2183 0.3172 0.075 Uiso 1 1 calc R . . H22J H 0.8300 0.3141 0.2974 0.075 Uiso 1 1 calc R . . H22K H 0.7931 0.3610 0.2888 0.075 Uiso 1 1 calc R . . C224 C 0.82855(13) 0.4862(3) 0.4015(3) 0.0451(14) Uani 1 1 d DU . . H22L H 0.8109 0.5395 0.3727 0.068 Uiso 1 1 calc R . . H22M H 0.8477 0.4936 0.3785 0.068 Uiso 1 1 calc R . . H22N H 0.8341 0.5152 0.4551 0.068 Uiso 1 1 calc R . . Li21 Li 0.8499(2) 0.2341(8) 0.4761(4) 0.035(2) Uani 1 1 d U . . Li22 Li 0.8303(2) 0.0720(8) 0.5575(4) 0.039(2) Uani 1 1 d U . . N31 N 0.97266(9) 0.3573(3) 0.81471(18) 0.0347(11) Uani 1 1 d DU . . N32 N 0.98241(8) 0.8159(3) 0.6494(2) 0.0382(11) Uani 1 1 d DU . . C31 C 0.95530(10) 0.5866(4) 0.7139(2) 0.0300(12) Uani 1 1 d DU . . C32 C 0.93364(10) 0.5220(4) 0.7523(2) 0.0293(12) Uani 1 1 d DU . . C33 C 0.90021(10) 0.5228(4) 0.7262(3) 0.0364(14) Uani 1 1 d DU . . H33 H 0.8867 0.4776 0.7539 0.044 Uiso 1 1 calc R . . C34 C 0.88605(12) 0.5893(5) 0.6594(3) 0.0453(15) Uani 1 1 d DU . . H34 H 0.8631 0.5902 0.6412 0.054 Uiso 1 1 calc R . . C35 C 0.90639(11) 0.6537(4) 0.6207(3) 0.0397(14) Uani 1 1 d DU . . H35 H 0.8972 0.7006 0.5756 0.048 Uiso 1 1 calc R . . C36 C 0.93996(10) 0.6516(4) 0.6461(2) 0.0310(12) Uani 1 1 d DU . . C37 C 0.94856(12) 0.4555(5) 0.8266(3) 0.0406(14) Uani 1 1 d DU . . H37A H 0.9595 0.5196 0.8644 0.049 Uiso 1 1 calc R . . H37B H 0.9311 0.4141 0.8478 0.049 Uiso 1 1 calc R . . C38 C 0.95636(13) 0.2515(4) 0.7674(3) 0.0497(16) Uani 1 1 d DU . . H38A H 0.9725 0.1869 0.7612 0.075 Uiso 1 1 calc R . . H38B H 0.9456 0.2844 0.7169 0.075 Uiso 1 1 calc R . . H38C H 0.9401 0.2127 0.7926 0.075 Uiso 1 1 calc R . . C39 C 0.98967(13) 0.3064(6) 0.8892(2) 0.0513(15) Uani 1 1 d DU . . H39A H 0.9739 0.2650 0.9148 0.077 Uiso 1 1 calc R . . H39B H 1.0005 0.3767 0.9213 0.077 Uiso 1 1 calc R . . H39C H 1.0060 0.2436 0.8813 0.077 Uiso 1 1 calc R . . C310 C 0.96167(11) 0.7201(5) 0.6012(3) 0.0379(13) Uani 1 1 d DU . . H31A H 0.9757 0.6569 0.5821 0.045 Uiso 1 1 calc R . . H31B H 0.9480 0.7633 0.5561 0.045 Uiso 1 1 calc R . . C311 C 0.96203(13) 0.9189(4) 0.6700(4) 0.0547(16) Uani 1 1 d DU . . H31C H 0.9760 0.9832 0.7010 0.082 Uiso 1 1 calc R . . H31D H 0.9469 0.8832 0.6996 0.082 Uiso 1 1 calc R . . H31E H 0.9496 0.9591 0.6231 0.082 Uiso 1 1 calc R . . C312 C 1.00598(13) 0.8690(6) 0.6075(3) 0.0639(18) Uani 1 1 d DU . . H31F H 1.0205 0.8008 0.5971 0.096 Uiso 1 1 calc R . . H31G H 1.0189 0.9359 0.6386 0.096 Uiso 1 1 calc R . . H31H H 0.9943 0.9060 0.5588 0.096 Uiso 1 1 calc R . . Li31 Li 1.0000 0.4721(11) 0.7500 0.035(3) Uani 1 2 d SU . . Li32 Li 1.0000 0.7039(10) 0.7500 0.034(3) Uani 1 2 d SU . . N41 N 0.48288(8) 0.1996(3) 0.3354(2) 0.0386(11) Uani 1 1 d DU . . N42 N 0.47487(9) 0.6477(4) 0.1552(2) 0.0428(12) Uani 1 1 d DU . . C41 C 0.45571(11) 0.4219(4) 0.2385(2) 0.0358(13) Uani 1 1 d DU . . C42 C 0.43952(10) 0.3605(4) 0.2904(2) 0.0333(13) Uani 1 1 d DU . . C43 C 0.40612(11) 0.3616(4) 0.2830(3) 0.0415(14) Uani 1 1 d DU . . H43 H 0.3965 0.3184 0.3196 0.050 Uiso 1 1 calc R . . C44 C 0.38677(13) 0.4259(5) 0.2220(3) 0.0470(15) Uani 1 1 d DU . . H44 H 0.3637 0.4272 0.2163 0.056 Uiso 1 1 calc R . . C45 C 0.40147(11) 0.4885(5) 0.1693(3) 0.0399(14) Uani 1 1 d DU . . H45 H 0.3884 0.5340 0.1276 0.048 Uiso 1 1 calc R . . C46 C 0.43487(10) 0.4847(4) 0.1771(2) 0.0310(13) Uani 1 1 d DU . . C47 C 0.46081(12) 0.2953(5) 0.3596(3) 0.0413(14) Uani 1 1 d DU . . H47A H 0.4740 0.3607 0.3926 0.050 Uiso 1 1 calc R . . H47B H 0.4468 0.2522 0.3901 0.050 Uiso 1 1 calc R . . C48 C 0.46376(13) 0.0909(4) 0.2977(3) 0.0536(16) Uani 1 1 d DU . . H48A H 0.4532 0.0474 0.3347 0.080 Uiso 1 1 calc R . . H48B H 0.4782 0.0308 0.2790 0.080 Uiso 1 1 calc R . . H48C H 0.4471 0.1220 0.2544 0.080 Uiso 1 1 calc R . . C49 C 0.50694(13) 0.1540(6) 0.4021(3) 0.0576(17) Uani 1 1 d DU . . H49A H 0.4957 0.1116 0.4382 0.086 Uiso 1 1 calc R . . H49B H 0.5195 0.2268 0.4276 0.086 Uiso 1 1 calc R . . H49C H 0.5217 0.0930 0.3852 0.086 Uiso 1 1 calc R . . C410 C 0.45066(11) 0.5504(5) 0.1186(3) 0.0369(13) Uani 1 1 d DU . . H41A H 0.4617 0.4855 0.0923 0.044 Uiso 1 1 calc R . . H41B H 0.4336 0.5924 0.0793 0.044 Uiso 1 1 calc R . . C411 C 0.45770(13) 0.7545(4) 0.1828(3) 0.0516(16) Uani 1 1 d DU . . H41C H 0.4424 0.7931 0.1393 0.077 Uiso 1 1 calc R . . H41D H 0.4736 0.8191 0.2069 0.077 Uiso 1 1 calc R . . H41E H 0.4456 0.7228 0.2204 0.077 Uiso 1 1 calc R . . C412 C 0.49398(14) 0.6934(6) 0.1005(3) 0.0612(18) Uani 1 1 d DU . . H41F H 0.5067 0.6223 0.0859 0.092 Uiso 1 1 calc R . . H41G H 0.5088 0.7615 0.1243 0.092 Uiso 1 1 calc R . . H41H H 0.4792 0.7270 0.0546 0.092 Uiso 1 1 calc R . . Li41 Li 0.5000 0.3058(12) 0.2500 0.037(3) Uani 1 2 d SU . . Li42 Li 0.5000 0.5376(11) 0.2500 0.036(3) Uani 1 2 d SU . . 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 N11 0.077(3) 0.039(3) 0.043(3) -0.007(2) 0.025(3) -0.014(2) N12 0.059(3) 0.039(3) 0.022(2) 0.002(2) 0.010(2) 0.000(2) N13 0.051(3) 0.043(3) 0.041(3) 0.004(2) 0.005(2) 0.003(2) N14 0.063(3) 0.044(3) 0.034(3) 0.002(2) 0.013(2) 0.001(2) C11 0.049(3) 0.033(3) 0.029(3) -0.004(3) 0.004(3) -0.008(3) C12 0.049(3) 0.047(4) 0.032(3) -0.004(3) 0.012(3) -0.010(3) C13 0.062(4) 0.059(4) 0.060(4) -0.006(4) 0.006(3) -0.029(3) C14 0.067(4) 0.064(4) 0.047(4) -0.019(4) 0.003(3) -0.021(4) C15 0.055(4) 0.052(4) 0.034(3) -0.015(3) 0.003(3) -0.006(3) C16 0.051(3) 0.034(3) 0.029(3) -0.002(3) 0.003(3) 0.007(3) C17 0.055(4) 0.050(4) 0.056(4) -0.004(3) 0.013(3) -0.017(3) C18 0.115(5) 0.044(4) 0.053(4) -0.002(3) 0.024(4) -0.029(4) C19 0.104(5) 0.077(5) 0.052(4) -0.021(4) 0.043(4) -0.032(4) C110 0.052(3) 0.042(4) 0.030(3) -0.001(3) 0.010(3) 0.005(3) C111 0.079(4) 0.052(4) 0.028(3) 0.003(3) 0.007(3) 0.007(3) C112 0.073(4) 0.052(4) 0.060(4) 0.003(3) 0.033(4) -0.014(3) C113 0.040(3) 0.033(3) 0.026(3) 0.000(2) 0.013(2) -0.003(3) C114 0.063(4) 0.030(3) 0.029(3) -0.009(3) 0.023(3) -0.011(3) C115 0.094(5) 0.031(4) 0.037(3) 0.002(3) 0.028(3) 0.000(3) C116 0.086(5) 0.049(4) 0.035(4) -0.014(3) 0.013(3) -0.025(4) C117 0.059(4) 0.060(4) 0.025(3) 0.000(3) 0.007(3) -0.023(3) C118 0.058(4) 0.034(3) 0.018(3) 0.006(3) 0.010(3) -0.010(3) C119 0.065(4) 0.044(4) 0.050(4) 0.000(3) 0.021(3) 0.010(3) C120 0.100(5) 0.039(4) 0.046(4) 0.012(3) 0.018(3) 0.011(3) C121 0.062(4) 0.090(5) 0.077(5) 0.008(4) -0.001(4) 0.012(4) C122 0.045(3) 0.058(4) 0.035(3) 0.001(3) 0.006(3) -0.008(3) C123 0.094(5) 0.046(4) 0.080(5) 0.001(4) 0.029(4) 0.012(4) C124 0.072(4) 0.053(4) 0.038(4) 0.009(3) 0.014(3) -0.002(3) Li11 0.051(5) 0.037(5) 0.031(5) -0.001(4) 0.004(4) 0.000(4) Li12 0.047(5) 0.043(5) 0.036(5) -0.008(4) 0.008(4) -0.002(4) N21 0.057(3) 0.030(3) 0.032(3) 0.002(2) 0.014(2) 0.001(2) N22 0.057(3) 0.035(3) 0.039(3) 0.003(2) 0.019(2) -0.003(2) N23 0.064(3) 0.034(3) 0.034(3) 0.000(2) 0.013(2) 0.001(2) N24 0.055(3) 0.031(3) 0.024(2) 0.003(2) 0.007(2) 0.001(2) C21 0.054(3) 0.028(3) 0.018(3) 0.001(2) 0.010(2) 0.001(3) C22 0.050(3) 0.026(3) 0.021(3) 0.003(2) 0.009(2) 0.006(3) C23 0.064(4) 0.040(4) 0.029(3) 0.007(3) 0.015(3) 0.012(3) C24 0.075(4) 0.043(4) 0.025(3) -0.001(3) 0.016(3) 0.023(3) C25 0.077(4) 0.025(3) 0.021(3) -0.003(3) 0.012(3) -0.005(3) C26 0.054(3) 0.025(3) 0.029(3) 0.000(3) 0.014(3) -0.002(3) C27 0.049(3) 0.038(3) 0.035(3) 0.004(3) 0.013(3) 0.007(3) C28 0.070(4) 0.044(4) 0.038(3) 0.013(3) 0.022(3) 0.007(3) C29 0.074(4) 0.037(4) 0.058(4) 0.000(3) 0.007(3) -0.008(3) C210 0.082(4) 0.021(3) 0.035(3) -0.002(3) 0.007(3) -0.006(3) C211 0.104(5) 0.038(4) 0.058(4) 0.004(3) 0.035(4) -0.012(4) C212 0.056(4) 0.075(5) 0.078(5) -0.002(4) 0.025(3) -0.013(3) C213 0.050(3) 0.029(3) 0.025(3) -0.002(3) 0.013(2) 0.000(3) C214 0.050(3) 0.037(3) 0.020(3) -0.003(3) 0.015(2) -0.006(3) C215 0.053(3) 0.039(3) 0.027(3) -0.014(3) 0.013(3) -0.015(3) C216 0.046(3) 0.041(3) 0.039(3) -0.015(3) 0.018(3) 0.002(3) C217 0.044(3) 0.035(3) 0.043(4) 0.005(3) 0.012(3) 0.002(3) C218 0.047(3) 0.029(3) 0.037(3) -0.005(3) 0.013(3) -0.002(3) C219 0.064(4) 0.039(4) 0.024(3) -0.001(3) 0.010(3) -0.002(3) C220 0.093(5) 0.060(4) 0.043(4) 0.005(3) 0.033(4) -0.020(4) C221 0.105(5) 0.047(4) 0.046(4) 0.006(3) 0.001(4) 0.017(4) C222 0.043(3) 0.031(3) 0.037(3) -0.004(3) 0.009(3) -0.002(2) C223 0.073(4) 0.049(4) 0.027(3) -0.001(3) 0.010(3) -0.004(3) C224 0.070(4) 0.031(3) 0.036(3) 0.006(3) 0.014(3) -0.004(3) Li21 0.056(5) 0.027(5) 0.020(4) 0.000(4) 0.002(4) 0.000(4) Li22 0.061(5) 0.035(5) 0.022(4) -0.001(4) 0.010(4) 0.001(4) N31 0.047(3) 0.027(3) 0.033(2) 0.004(2) 0.014(2) 0.000(2) N32 0.047(3) 0.030(3) 0.042(3) 0.005(2) 0.019(2) -0.003(2) C31 0.046(3) 0.020(3) 0.023(3) -0.001(2) 0.006(2) 0.001(2) C32 0.042(3) 0.021(3) 0.028(3) -0.004(2) 0.013(3) 0.001(2) C33 0.037(3) 0.033(3) 0.043(4) -0.014(3) 0.018(3) -0.006(3) C34 0.040(3) 0.046(4) 0.048(4) -0.008(3) 0.006(3) 0.000(3) C35 0.055(4) 0.034(3) 0.030(3) -0.001(3) 0.011(3) 0.004(3) C36 0.042(3) 0.025(3) 0.029(3) -0.001(3) 0.013(2) 0.000(2) C37 0.052(3) 0.035(3) 0.042(3) 0.001(3) 0.026(3) -0.002(3) C38 0.069(4) 0.026(3) 0.055(4) -0.010(3) 0.016(3) 0.002(3) C39 0.063(4) 0.047(4) 0.043(4) 0.011(3) 0.008(3) 0.003(3) C310 0.046(3) 0.036(3) 0.033(3) 0.005(3) 0.011(3) 0.002(3) C311 0.074(4) 0.029(3) 0.060(4) 0.008(3) 0.012(3) 0.009(3) C312 0.063(4) 0.066(4) 0.068(4) 0.014(4) 0.025(3) -0.013(3) Li31 0.056(7) 0.029(7) 0.023(6) 0.000 0.018(5) 0.000 Li32 0.052(7) 0.016(6) 0.032(6) 0.000 0.003(5) 0.000 N41 0.045(3) 0.031(3) 0.039(3) 0.003(2) 0.008(2) -0.002(2) N42 0.057(3) 0.036(3) 0.037(3) 0.012(2) 0.014(2) 0.003(2) C41 0.049(3) 0.026(3) 0.033(3) -0.008(3) 0.010(3) 0.000(3) C42 0.041(3) 0.029(3) 0.032(3) -0.003(3) 0.013(2) -0.004(2) C43 0.044(3) 0.035(3) 0.050(4) -0.005(3) 0.022(3) -0.005(3) C44 0.042(3) 0.043(4) 0.055(4) -0.006(3) 0.008(3) 0.001(3) C45 0.046(3) 0.029(3) 0.042(4) -0.004(3) 0.002(3) 0.001(3) C46 0.039(3) 0.027(3) 0.025(3) -0.007(3) 0.002(3) 0.005(2) C47 0.054(3) 0.038(3) 0.035(3) 0.003(3) 0.017(3) -0.004(3) C48 0.065(4) 0.038(4) 0.060(4) 0.001(3) 0.020(3) -0.009(3) C49 0.075(4) 0.051(4) 0.044(4) 0.010(3) 0.006(3) 0.012(3) C410 0.048(3) 0.036(3) 0.026(3) 0.000(3) 0.006(3) 0.003(3) C411 0.066(4) 0.030(3) 0.055(4) 0.002(3) 0.006(3) 0.001(3) C412 0.065(4) 0.066(4) 0.056(4) 0.023(4) 0.020(3) -0.003(3) Li41 0.049(7) 0.038(7) 0.026(6) 0.000 0.011(5) 0.000 Li42 0.047(6) 0.031(7) 0.032(7) 0.000 0.014(5) 0.000 _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 N11 C19 1.4671(14) . ? N11 C18 1.4672(14) . ? N11 C17 1.485(5) . ? N11 Li11 2.121(10) . ? N12 C112 1.4668(14) . ? N12 C111 1.4670(14) . ? N12 C110 1.486(5) . ? N12 Li12 2.099(9) . ? N13 C121 1.4669(14) . ? N13 C120 1.4672(14) . ? N13 C119 1.488(5) . ? N13 Li12 2.129(10) . ? N14 C124 1.4671(14) . ? N14 C123 1.4672(14) . ? N14 C122 1.481(5) . ? N14 Li11 2.114(9) . ? C11 C12 1.401(5) . ? C11 C16 1.409(5) . ? C11 Li12 2.171(10) . ? C11 Li11 2.206(9) . ? C12 C13 1.391(5) . ? C12 C17 1.517(5) . ? C13 C14 1.388(6) . ? C13 H13 0.9500 . ? C14 C15 1.379(5) . ? C14 H14 0.9500 . ? C15 C16 1.388(5) . ? C15 H15 0.9500 . ? C16 C110 1.508(5) . ? C17 H17A 0.9900 . ? C17 H17B 0.9900 . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C19 H19C 0.9800 . ? C110 Li12 2.781(10) . ? C110 H11A 0.9900 . ? C110 H11B 0.9900 . ? C111 H11C 0.9800 . ? C111 H11D 0.9800 . ? C111 H11E 0.9800 . ? C112 H11F 0.9800 . ? C112 H11G 0.9800 . ? C112 H11H 0.9800 . ? C113 C114 1.400(5) . ? C113 C118 1.400(5) . ? C113 Li11 2.207(10) . ? C113 Li12 2.222(9) . ? C114 C115 1.383(5) . ? C114 C119 1.507(5) . ? C114 Li12 2.789(9) . ? C115 C116 1.379(5) . ? C115 H115 0.9500 . ? C116 C117 1.379(5) . ? C116 H116 0.9500 . ? C117 C118 1.390(5) . ? C117 H117 0.9500 . ? C118 C122 1.520(5) . ? C119 Li12 2.780(10) . ? C119 H11I 0.9900 . ? C119 H11J 0.9900 . ? C120 H12A 0.9800 . ? C120 H12B 0.9800 . ? C120 H12C 0.9800 . ? C121 H12D 0.9800 . ? C121 H12E 0.9800 . ? C121 H12F 0.9800 . ? C122 H12G 0.9900 . ? C122 H12H 0.9900 . ? C123 H12I 0.9800 . ? C123 H12J 0.9800 . ? C123 H12K 0.9800 . ? C124 H12L 0.9800 . ? C124 H12M 0.9800 . ? C124 H12N 0.9800 . ? Li11 Li12 2.443(12) . ? N21 C28 1.4670(14) . ? N21 C29 1.4670(14) . ? N21 C27 1.473(5) . ? N21 Li21 2.086(9) . ? N22 C212 1.4669(14) . ? N22 C211 1.4672(14) . ? N22 C210 1.489(5) . ? N22 Li22 2.109(9) . ? N23 C221 1.4669(14) . ? N23 C220 1.4670(14) . ? N23 C219 1.484(5) . ? N23 Li22 2.106(9) . ? N24 C223 1.4671(14) . ? N24 C224 1.4672(14) . ? N24 C222 1.471(5) . ? N24 Li21 2.104(9) . ? C21 C26 1.397(5) . ? C21 C22 1.407(5) . ? C21 Li21 2.204(9) . ? C21 Li22 2.222(9) . ? C22 C23 1.392(5) . ? C22 C27 1.515(5) . ? C23 C24 1.384(5) . ? C23 H23 0.9500 . ? C24 C25 1.376(5) . ? C24 H24 0.9500 . ? C25 C26 1.389(5) . ? C25 H25 0.9500 . ? C26 C210 1.497(5) . ? C27 Li21 2.764(10) . ? C27 H27A 0.9900 . ? C27 H27B 0.9900 . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? C29 H29A 0.9800 . ? C29 H29B 0.9800 . ? C29 H29C 0.9800 . ? C210 Li22 2.763(9) . ? C210 H21A 0.9900 . ? C210 H21B 0.9900 . ? C211 H21C 0.9800 . ? C211 H21D 0.9800 . ? C211 H21E 0.9800 . ? C212 H21F 0.9800 . ? C212 H21G 0.9800 . ? C212 H21H 0.9800 . ? C213 C214 1.409(5) . ? C213 C218 1.415(5) . ? C213 Li22 2.193(10) . ? C213 Li21 2.221(9) . ? C214 C215 1.392(5) . ? C214 C219 1.512(5) . ? C215 C216 1.386(5) . ? C215 H215 0.9500 . ? C216 C217 1.386(5) . ? C216 H216 0.9500 . ? C217 C218 1.398(5) . ? C217 H217 0.9500 . ? C218 C222 1.508(5) . ? C219 Li22 2.787(9) . ? C219 H21I 0.9900 . ? C219 H21J 0.9900 . ? C220 H22A 0.9800 . ? C220 H22B 0.9800 . ? C220 H22C 0.9800 . ? C221 H22D 0.9800 . ? C221 H22E 0.9800 . ? C221 H22F 0.9800 . ? C222 Li21 2.758(10) . ? C222 H22G 0.9900 . ? C222 H22H 0.9900 . ? C223 H22I 0.9800 . ? C223 H22J 0.9800 . ? C223 H22K 0.9800 . ? C224 H22L 0.9800 . ? C224 H22M 0.9800 . ? C224 H22N 0.9800 . ? Li21 Li22 2.477(12) . ? N31 C38 1.4671(14) . ? N31 C39 1.4671(14) . ? N31 C37 1.486(5) . ? N31 Li31 2.153(7) . ? N32 C311 1.4670(14) . ? N32 C312 1.4671(14) . ? N32 C310 1.476(5) . ? N32 Li32 2.136(7) . ? C31 C36 1.416(5) . ? C31 C32 1.417(5) . ? C31 Li31 2.202(7) . ? C31 Li32 2.218(7) . ? C32 C33 1.381(5) . ? C32 C37 1.509(5) . ? C33 C34 1.397(5) . ? C33 H33 0.9500 . ? C34 C35 1.380(5) . ? C34 H34 0.9500 . ? C35 C36 1.385(5) . ? C35 H35 0.9500 . ? C36 C310 1.514(5) . ? C37 H37A 0.9900 . ? C37 H37B 0.9900 . ? C38 H38A 0.9800 . ? C38 H38B 0.9800 . ? C38 H38C 0.9800 . ? C39 H39A 0.9800 . ? C39 H39B 0.9800 . ? C39 H39C 0.9800 . ? C310 H31A 0.9900 . ? C310 H31B 0.9900 . ? C311 H31C 0.9800 . ? C311 H31D 0.9800 . ? C311 H31E 0.9800 . ? C312 H31F 0.9800 . ? C312 H31G 0.9800 . ? C312 H31H 0.9800 . ? Li31 N31 2.153(7) 2_756 ? Li31 C31 2.202(7) 2_756 ? Li31 Li32 2.419(16) . ? Li32 N32 2.136(7) 2_756 ? Li32 C31 2.218(7) 2_756 ? N41 C49 1.4670(14) . ? N41 C48 1.4670(14) . ? N41 C47 1.486(5) . ? N41 Li41 2.125(7) . ? N42 C412 1.4670(14) . ? N42 C411 1.4672(14) . ? N42 C410 1.486(5) . ? N42 Li42 2.128(7) . ? C41 C46 1.409(5) . ? C41 C42 1.412(5) . ? C41 Li42 2.188(8) . ? C41 Li41 2.191(8) . ? C42 C43 1.379(5) . ? C42 C47 1.520(5) . ? C43 C44 1.384(5) . ? C43 H43 0.9500 . ? C44 C45 1.391(5) . ? C44 H44 0.9500 . ? C45 C46 1.379(5) . ? C45 H45 0.9500 . ? C46 C410 1.513(5) . ? C47 H47A 0.9900 . ? C47 H47B 0.9900 . ? C48 H48A 0.9800 . ? C48 H48B 0.9800 . ? C48 H48C 0.9800 . ? C49 H49A 0.9800 . ? C49 H49B 0.9800 . ? C49 H49C 0.9800 . ? C410 Li42 2.781(5) . ? C410 H41A 0.9900 . ? C410 H41B 0.9900 . ? C411 H41C 0.9800 . ? C411 H41D 0.9800 . ? C411 H41E 0.9800 . ? C412 H41F 0.9800 . ? C412 H41G 0.9800 . ? C412 H41H 0.9800 . ? Li41 N41 2.125(7) 2_655 ? Li41 C41 2.191(8) 2_655 ? Li41 Li42 2.418(17) . ? Li42 N42 2.128(7) 2_655 ? Li42 C41 2.188(8) 2_655 ? Li42 C410 2.781(5) 2_655 ? 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 C19 N11 C18 109.6(5) . . ? C19 N11 C17 110.3(4) . . ? C18 N11 C17 109.5(4) . . ? C19 N11 Li11 116.1(4) . . ? C18 N11 Li11 110.6(4) . . ? C17 N11 Li11 100.4(4) . . ? C112 N12 C111 110.1(4) . . ? C112 N12 C110 109.6(4) . . ? C111 N12 C110 110.1(4) . . ? C112 N12 Li12 115.6(4) . . ? C111 N12 Li12 110.6(4) . . ? C110 N12 Li12 100.3(4) . . ? C121 N13 C120 110.8(5) . . ? C121 N13 C119 109.5(4) . . ? C120 N13 C119 109.2(4) . . ? C121 N13 Li12 115.8(4) . . ? C120 N13 Li12 111.8(4) . . ? C119 N13 Li12 98.9(4) . . ? C124 N14 C123 110.2(5) . . ? C124 N14 C122 109.0(4) . . ? C123 N14 C122 109.2(4) . . ? C124 N14 Li11 109.3(4) . . ? C123 N14 Li11 117.7(4) . . ? C122 N14 Li11 100.7(4) . . ? C12 C11 C16 115.3(4) . . ? C12 C11 Li12 134.5(4) . . ? C16 C11 Li12 100.8(4) . . ? C12 C11 Li11 101.6(4) . . ? C16 C11 Li11 133.4(4) . . ? Li12 C11 Li11 67.9(3) . . ? C13 C12 C11 122.2(4) . . ? C13 C12 C17 120.8(4) . . ? C11 C12 C17 117.0(4) . . ? C14 C13 C12 121.0(5) . . ? C14 C13 H13 119.5 . . ? C12 C13 H13 119.5 . . ? C15 C14 C13 118.3(5) . . ? C15 C14 H14 120.9 . . ? C13 C14 H14 120.9 . . ? C14 C15 C16 120.7(5) . . ? C14 C15 H15 119.6 . . ? C16 C15 H15 119.6 . . ? C15 C16 C11 122.6(4) . . ? C15 C16 C110 119.9(4) . . ? C11 C16 C110 117.5(4) . . ? N11 C17 C12 111.5(4) . . ? N11 C17 H17A 109.3 . . ? C12 C17 H17A 109.3 . . ? N11 C17 H17B 109.3 . . ? C12 C17 H17B 109.3 . . ? H17A C17 H17B 108.0 . . ? N11 C18 H18A 109.5 . . ? N11 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? N11 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? N11 C19 H19A 109.5 . . ? N11 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? N11 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? N12 C110 C16 111.1(4) . . ? N12 C110 Li12 48.0(3) . . ? C16 C110 Li12 75.0(3) . . ? N12 C110 H11A 109.4 . . ? C16 C110 H11A 109.4 . . ? Li12 C110 H11A 93.7 . . ? N12 C110 H11B 109.4 . . ? C16 C110 H11B 109.4 . . ? Li12 C110 H11B 154.0 . . ? H11A C110 H11B 108.0 . . ? N12 C111 H11C 109.5 . . ? N12 C111 H11D 109.5 . . ? H11C C111 H11D 109.5 . . ? N12 C111 H11E 109.5 . . ? H11C C111 H11E 109.5 . . ? H11D C111 H11E 109.5 . . ? N12 C112 H11F 109.5 . . ? N12 C112 H11G 109.5 . . ? H11F C112 H11G 109.5 . . ? N12 C112 H11H 109.5 . . ? H11F C112 H11H 109.5 . . ? H11G C112 H11H 109.5 . . ? C114 C113 C118 115.4(4) . . ? C114 C113 Li11 137.4(4) . . ? C118 C113 Li11 102.7(4) . . ? C114 C113 Li12 98.1(4) . . ? C118 C113 Li12 131.8(4) . . ? Li11 C113 Li12 66.9(3) . . ? C115 C114 C113 122.9(5) . . ? C115 C114 C119 119.6(5) . . ? C113 C114 C119 117.4(4) . . ? C115 C114 Li12 151.1(3) . . ? C113 C114 Li12 52.1(3) . . ? C119 C114 Li12 74.0(3) . . ? C116 C115 C114 119.6(5) . . ? C116 C115 H115 120.2 . . ? C114 C115 H115 120.2 . . ? C115 C116 C117 119.9(5) . . ? C115 C116 H116 120.0 . . ? C117 C116 H116 120.0 . . ? C116 C117 C118 119.6(5) . . ? C116 C117 H117 120.2 . . ? C118 C117 H117 120.2 . . ? C117 C118 C113 122.6(5) . . ? C117 C118 C122 119.3(4) . . ? C113 C118 C122 118.2(4) . . ? N13 C119 C114 111.2(4) . . ? N13 C119 Li12 49.2(3) . . ? C114 C119 Li12 74.6(3) . . ? N13 C119 H11I 109.4 . . ? C114 C119 H11I 109.4 . . ? Li12 C119 H11I 92.8 . . ? N13 C119 H11J 109.4 . . ? C114 C119 H11J 109.4 . . ? Li12 C119 H11J 155.3 . . ? H11I C119 H11J 108.0 . . ? N13 C120 H12A 109.5 . . ? N13 C120 H12B 109.5 . . ? H12A C120 H12B 109.5 . . ? N13 C120 H12C 109.5 . . ? H12A C120 H12C 109.5 . . ? H12B C120 H12C 109.5 . . ? N13 C121 H12D 109.5 . . ? N13 C121 H12E 109.5 . . ? H12D C121 H12E 109.5 . . ? N13 C121 H12F 109.5 . . ? H12D C121 H12F 109.5 . . ? H12E C121 H12F 109.5 . . ? N14 C122 C118 112.0(4) . . ? N14 C122 H12G 109.2 . . ? C118 C122 H12G 109.2 . . ? N14 C122 H12H 109.2 . . ? C118 C122 H12H 109.2 . . ? H12G C122 H12H 107.9 . . ? N14 C123 H12I 109.5 . . ? N14 C123 H12J 109.5 . . ? H12I C123 H12J 109.5 . . ? N14 C123 H12K 109.5 . . ? H12I C123 H12K 109.5 . . ? H12J C123 H12K 109.5 . . ? N14 C124 H12L 109.5 . . ? N14 C124 H12M 109.5 . . ? H12L C124 H12M 109.5 . . ? N14 C124 H12N 109.5 . . ? H12L C124 H12N 109.5 . . ? H12M C124 H12N 109.5 . . ? N14 Li11 N11 116.1(4) . . ? N14 Li11 C11 131.9(4) . . ? N11 Li11 C11 86.7(3) . . ? N14 Li11 C113 86.1(3) . . ? N11 Li11 C113 129.6(4) . . ? C11 Li11 C113 112.2(4) . . ? N14 Li11 Li12 123.4(4) . . ? N11 Li11 Li12 120.5(4) . . ? C11 Li11 Li12 55.4(3) . . ? C113 Li11 Li12 56.8(3) . . ? N12 Li12 N13 117.6(4) . . ? N12 Li12 C11 88.0(4) . . ? N13 Li12 C11 128.5(4) . . ? N12 Li12 C113 126.2(4) . . ? N13 Li12 C113 88.0(3) . . ? C11 Li12 C113 113.0(4) . . ? N12 Li12 Li11 120.8(5) . . ? N13 Li12 Li11 121.5(4) . . ? C11 Li12 Li11 56.8(3) . . ? C113 Li12 Li11 56.2(3) . . ? N12 Li12 C119 143.3(5) . . ? N13 Li12 C119 31.94(17) . . ? C11 Li12 C119 125.8(4) . . ? C113 Li12 C119 58.3(2) . . ? Li11 Li12 C119 92.5(4) . . ? N12 Li12 C110 31.73(18) . . ? N13 Li12 C110 144.9(4) . . ? C11 Li12 C110 58.9(2) . . ? C113 Li12 C110 122.6(4) . . ? Li11 Li12 C110 91.8(4) . . ? C119 Li12 C110 174.9(4) . . ? N12 Li12 C114 133.4(4) . . ? N13 Li12 C114 58.5(2) . . ? C11 Li12 C114 133.2(4) . . ? C113 Li12 C114 29.79(17) . . ? Li11 Li12 C114 80.0(3) . . ? C119 Li12 C114 31.40(15) . . ? C110 Li12 C114 147.7(4) . . ? C28 N21 C29 109.4(4) . . ? C28 N21 C27 109.5(4) . . ? C29 N21 C27 110.1(4) . . ? C28 N21 Li21 108.7(4) . . ? C29 N21 Li21 118.1(4) . . ? C27 N21 Li21 100.5(3) . . ? C212 N22 C211 110.5(5) . . ? C212 N22 C210 110.7(4) . . ? C211 N22 C210 108.1(4) . . ? C212 N22 Li22 118.1(4) . . ? C211 N22 Li22 109.7(4) . . ? C210 N22 Li22 98.9(4) . . ? C221 N23 C220 111.0(5) . . ? C221 N23 C219 109.8(4) . . ? C220 N23 C219 109.7(4) . . ? C221 N23 Li22 116.2(4) . . ? C220 N23 Li22 109.1(4) . . ? C219 N23 Li22 100.4(4) . . ? C223 N24 C224 109.5(4) . . ? C223 N24 C222 110.3(4) . . ? C224 N24 C222 109.0(4) . . ? C223 N24 Li21 115.1(4) . . ? C224 N24 Li21 112.9(4) . . ? C222 N24 Li21 99.5(3) . . ? C26 C21 C22 115.0(4) . . ? C26 C21 Li21 136.9(4) . . ? C22 C21 Li21 100.8(4) . . ? C26 C21 Li22 99.0(4) . . ? C22 C21 Li22 134.7(3) . . ? Li21 C21 Li22 68.1(3) . . ? C23 C22 C21 122.7(4) . . ? C23 C22 C27 119.0(4) . . ? C21 C22 C27 118.2(4) . . ? C24 C23 C22 119.8(5) . . ? C24 C23 H23 120.1 . . ? C22 C23 H23 120.1 . . ? C25 C24 C23 119.4(5) . . ? C25 C24 H24 120.3 . . ? C23 C24 H24 120.3 . . ? C24 C25 C26 120.2(5) . . ? C24 C25 H25 119.9 . . ? C26 C25 H25 119.9 . . ? C25 C26 C21 122.9(4) . . ? C25 C26 C210 119.7(4) . . ? C21 C26 C210 117.3(4) . . ? N21 C27 C22 111.6(4) . . ? N21 C27 Li21 47.9(3) . . ? C22 C27 Li21 76.6(3) . . ? N21 C27 H27A 109.3 . . ? C22 C27 H27A 109.3 . . ? Li21 C27 H27A 92.2 . . ? N21 C27 H27B 109.3 . . ? C22 C27 H27B 109.3 . . ? Li21 C27 H27B 154.8 . . ? H27A C27 H27B 108.0 . . ? N21 C28 H28A 109.5 . . ? N21 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? N21 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? N21 C29 H29A 109.5 . . ? N21 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? N21 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? N22 C210 C26 112.2(4) . . ? N22 C210 Li22 48.9(3) . . ? C26 C210 Li22 75.9(3) . . ? N22 C210 H21A 109.2 . . ? C26 C210 H21A 109.2 . . ? Li22 C210 H21A 92.3 . . ? N22 C210 H21B 109.2 . . ? C26 C210 H21B 109.2 . . ? Li22 C210 H21B 155.3 . . ? H21A C210 H21B 107.9 . . ? N22 C211 H21C 109.5 . . ? N22 C211 H21D 109.5 . . ? H21C C211 H21D 109.5 . . ? N22 C211 H21E 109.5 . . ? H21C C211 H21E 109.5 . . ? H21D C211 H21E 109.5 . . ? N22 C212 H21F 109.5 . . ? N22 C212 H21G 109.5 . . ? H21F C212 H21G 109.5 . . ? N22 C212 H21H 109.5 . . ? H21F C212 H21H 109.5 . . ? H21G C212 H21H 109.5 . . ? C214 C213 C218 115.2(4) . . ? C214 C213 Li22 102.1(3) . . ? C218 C213 Li22 135.4(4) . . ? C214 C213 Li21 133.9(3) . . ? C218 C213 Li21 98.9(3) . . ? Li22 C213 Li21 68.3(3) . . ? C215 C214 C213 122.7(4) . . ? C215 C214 C219 120.3(4) . . ? C213 C214 C219 117.0(4) . . ? C216 C215 C214 120.6(4) . . ? C216 C215 H215 119.7 . . ? C214 C215 H215 119.7 . . ? C217 C216 C215 118.6(5) . . ? C217 C216 H216 120.7 . . ? C215 C216 H216 120.7 . . ? C216 C217 C218 120.9(5) . . ? C216 C217 H217 119.6 . . ? C218 C217 H217 119.6 . . ? C217 C218 C213 122.0(4) . . ? C217 C218 C222 120.6(4) . . ? C213 C218 C222 117.4(4) . . ? N23 C219 C214 111.8(4) . . ? N23 C219 Li22 48.0(3) . . ? C214 C219 Li22 76.5(3) . . ? N23 C219 H21I 109.3 . . ? C214 C219 H21I 109.3 . . ? Li22 C219 H21I 92.4 . . ? N23 C219 H21J 109.3 . . ? C214 C219 H21J 109.3 . . ? Li22 C219 H21J 154.7 . . ? H21I C219 H21J 107.9 . . ? N23 C220 H22A 109.5 . . ? N23 C220 H22B 109.5 . . ? H22A C220 H22B 109.5 . . ? N23 C220 H22C 109.5 . . ? H22A C220 H22C 109.5 . . ? H22B C220 H22C 109.5 . . ? N23 C221 H22D 109.5 . . ? N23 C221 H22E 109.5 . . ? H22D C221 H22E 109.5 . . ? N23 C221 H22F 109.5 . . ? H22D C221 H22F 109.5 . . ? H22E C221 H22F 109.5 . . ? N24 C222 C218 110.9(3) . . ? N24 C222 Li21 48.8(3) . . ? C218 C222 Li21 76.3(3) . . ? N24 C222 H22G 109.5 . . ? C218 C222 H22G 109.5 . . ? Li21 C222 H22G 90.7 . . ? N24 C222 H22H 109.5 . . ? C218 C222 H22H 109.5 . . ? Li21 C222 H22H 156.2 . . ? H22G C222 H22H 108.0 . . ? N24 C223 H22I 109.5 . . ? N24 C223 H22J 109.5 . . ? H22I C223 H22J 109.5 . . ? N24 C223 H22K 109.5 . . ? H22I C223 H22K 109.5 . . ? H22J C223 H22K 109.5 . . ? N24 C224 H22L 109.5 . . ? N24 C224 H22M 109.5 . . ? H22L C224 H22M 109.5 . . ? N24 C224 H22N 109.5 . . ? H22L C224 H22N 109.5 . . ? H22M C224 H22N 109.5 . . ? N21 Li21 N24 112.4(4) . . ? N21 Li21 C21 87.3(3) . . ? N24 Li21 C21 131.3(4) . . ? N21 Li21 C213 132.9(4) . . ? N24 Li21 C213 87.5(3) . . ? C21 Li21 C213 111.6(4) . . ? N21 Li21 Li22 125.1(4) . . ? N24 Li21 Li22 122.5(4) . . ? C21 Li21 Li22 56.3(3) . . ? C213 Li21 Li22 55.3(3) . . ? N21 Li21 C222 141.5(4) . . ? N24 Li21 C222 31.74(17) . . ? C21 Li21 C222 125.3(4) . . ? C213 Li21 C222 59.0(2) . . ? Li22 Li21 C222 92.4(3) . . ? N21 Li21 C27 31.59(17) . . ? N24 Li21 C27 141.3(4) . . ? C21 Li21 C27 59.4(2) . . ? C213 Li21 C27 125.9(3) . . ? Li22 Li21 C27 94.7(3) . . ? C222 Li21 C27 172.9(4) . . ? N23 Li22 N22 115.2(4) . . ? N23 Li22 C213 86.9(3) . . ? N22 Li22 C213 130.2(4) . . ? N23 Li22 C21 130.0(4) . . ? N22 Li22 C21 87.9(3) . . ? C213 Li22 C21 112.0(4) . . ? N23 Li22 Li21 122.5(4) . . ? N22 Li22 Li21 122.2(4) . . ? C213 Li22 Li21 56.4(3) . . ? C21 Li22 Li21 55.6(3) . . ? N23 Li22 C210 143.0(4) . . ? N22 Li22 C210 32.18(17) . . ? C213 Li22 C210 126.0(4) . . ? C21 Li22 C210 58.3(2) . . ? Li21 Li22 C210 92.4(3) . . ? N23 Li22 C219 31.58(17) . . ? N22 Li22 C219 143.5(4) . . ? C213 Li22 C219 58.6(2) . . ? C21 Li22 C219 123.9(4) . . ? Li21 Li22 C219 92.7(3) . . ? C210 Li22 C219 174.6(4) . . ? C38 N31 C39 109.0(4) . . ? C38 N31 C37 110.6(4) . . ? C39 N31 C37 109.6(4) . . ? C38 N31 Li31 110.3(4) . . ? C39 N31 Li31 118.2(3) . . ? C37 N31 Li31 98.5(3) . . ? C311 N32 C312 109.9(4) . . ? C311 N32 C310 109.8(4) . . ? C312 N32 C310 109.8(4) . . ? C311 N32 Li32 107.9(3) . . ? C312 N32 Li32 118.9(3) . . ? C310 N32 Li32 100.0(4) . . ? C36 C31 C32 114.6(4) . . ? C36 C31 Li31 135.6(3) . . ? C32 C31 Li31 101.2(3) . . ? C36 C31 Li32 100.8(3) . . ? C32 C31 Li32 135.4(3) . . ? Li31 C31 Li32 66.4(4) . . ? C33 C32 C31 123.0(4) . . ? C33 C32 C37 120.1(4) . . ? C31 C32 C37 116.9(4) . . ? C32 C33 C34 120.5(4) . . ? C32 C33 H33 119.7 . . ? C34 C33 H33 119.7 . . ? C35 C34 C33 118.1(5) . . ? C35 C34 H34 121.0 . . ? C33 C34 H34 121.0 . . ? C34 C35 C36 121.5(5) . . ? C34 C35 H35 119.3 . . ? C36 C35 H35 119.3 . . ? C35 C36 C31 122.3(4) . . ? C35 C36 C310 120.2(4) . . ? C31 C36 C310 117.5(4) . . ? N31 C37 C32 111.1(3) . . ? N31 C37 H37A 109.4 . . ? C32 C37 H37A 109.4 . . ? N31 C37 H37B 109.4 . . ? C32 C37 H37B 109.4 . . ? H37A C37 H37B 108.0 . . ? N31 C38 H38A 109.5 . . ? N31 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? N31 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? N31 C39 H39A 109.5 . . ? N31 C39 H39B 109.5 . . ? H39A C39 H39B 109.5 . . ? N31 C39 H39C 109.5 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? N32 C310 C36 111.0(3) . . ? N32 C310 H31A 109.4 . . ? C36 C310 H31A 109.4 . . ? N32 C310 H31B 109.4 . . ? C36 C310 H31B 109.4 . . ? H31A C310 H31B 108.0 . . ? N32 C311 H31C 109.5 . . ? N32 C311 H31D 109.5 . . ? H31C C311 H31D 109.5 . . ? N32 C311 H31E 109.5 . . ? H31C C311 H31E 109.5 . . ? H31D C311 H31E 109.5 . . ? N32 C312 H31F 109.5 . . ? N32 C312 H31G 109.5 . . ? H31F C312 H31G 109.5 . . ? N32 C312 H31H 109.5 . . ? H31F C312 H31H 109.5 . . ? H31G C312 H31H 109.5 . . ? N31 Li31 N31 112.4(5) . 2_756 ? N31 Li31 C31 131.52(13) . 2_756 ? N31 Li31 C31 86.61(14) 2_756 2_756 ? N31 Li31 C31 86.61(14) . . ? N31 Li31 C31 131.52(13) 2_756 . ? C31 Li31 C31 114.3(5) 2_756 . ? N31 Li31 Li32 123.8(3) . . ? N31 Li31 Li32 123.8(3) 2_756 . ? C31 Li31 Li32 57.1(3) 2_756 . ? C31 Li31 Li32 57.1(3) . . ? N32 Li32 N32 113.6(5) 2_756 . ? N32 Li32 C31 86.45(14) 2_756 2_756 ? N32 Li32 C31 131.77(13) . 2_756 ? N32 Li32 C31 131.78(13) 2_756 . ? N32 Li32 C31 86.45(14) . . ? C31 Li32 C31 113.0(5) 2_756 . ? N32 Li32 Li31 123.2(3) 2_756 . ? N32 Li32 Li31 123.2(3) . . ? C31 Li32 Li31 56.5(3) 2_756 . ? C31 Li32 Li31 56.5(3) . . ? C49 N41 C48 109.6(4) . . ? C49 N41 C47 110.3(4) . . ? C48 N41 C47 109.8(4) . . ? C49 N41 Li41 118.1(3) . . ? C48 N41 Li41 108.1(4) . . ? C47 N41 Li41 100.5(4) . . ? C412 N42 C411 110.5(4) . . ? C412 N42 C410 110.4(4) . . ? C411 N42 C410 109.2(4) . . ? C412 N42 Li42 117.0(3) . . ? C411 N42 Li42 110.0(4) . . ? C410 N42 Li42 99.1(4) . . ? C46 C41 C42 114.4(4) . . ? C46 C41 Li42 101.0(3) . . ? C42 C41 Li42 134.9(3) . . ? C46 C41 Li41 134.8(3) . . ? C42 C41 Li41 101.7(3) . . ? Li42 C41 Li41 67.0(4) . . ? C43 C42 C41 123.6(4) . . ? C43 C42 C47 119.5(4) . . ? C41 C42 C47 116.9(4) . . ? C42 C43 C44 119.7(5) . . ? C42 C43 H43 120.2 . . ? C44 C43 H43 120.2 . . ? C43 C44 C45 119.2(5) . . ? C43 C44 H44 120.4 . . ? C45 C44 H44 120.4 . . ? C46 C45 C44 120.3(5) . . ? C46 C45 H45 119.9 . . ? C44 C45 H45 119.9 . . ? C45 C46 C41 122.9(4) . . ? C45 C46 C410 120.0(4) . . ? C41 C46 C410 117.1(4) . . ? N41 C47 C42 111.2(4) . . ? N41 C47 H47A 109.4 . . ? C42 C47 H47A 109.4 . . ? N41 C47 H47B 109.4 . . ? C42 C47 H47B 109.4 . . ? H47A C47 H47B 108.0 . . ? N41 C48 H48A 109.5 . . ? N41 C48 H48B 109.5 . . ? H48A C48 H48B 109.5 . . ? N41 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? N41 C49 H49A 109.5 . . ? N41 C49 H49B 109.5 . . ? H49A C49 H49B 109.5 . . ? N41 C49 H49C 109.5 . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? N42 C410 C46 111.4(3) . . ? N42 C410 Li42 49.1(3) . . ? C46 C410 Li42 75.8(3) . . ? N42 C410 H41A 109.4 . . ? C46 C410 H41A 109.4 . . ? Li42 C410 H41A 91.5 . . ? N42 C410 H41B 109.4 . . ? C46 C410 H41B 109.4 . . ? Li42 C410 H41B 155.9 . . ? H41A C410 H41B 108.0 . . ? N42 C411 H41C 109.5 . . ? N42 C411 H41D 109.5 . . ? H41C C411 H41D 109.5 . . ? N42 C411 H41E 109.5 . . ? H41C C411 H41E 109.5 . . ? H41D C411 H41E 109.5 . . ? N42 C412 H41F 109.5 . . ? N42 C412 H41G 109.5 . . ? H41F C412 H41G 109.5 . . ? N42 C412 H41H 109.5 . . ? H41F C412 H41H 109.5 . . ? H41G C412 H41H 109.5 . . ? N41 Li41 N41 117.1(6) . 2_655 ? N41 Li41 C41 86.98(15) . . ? N41 Li41 C41 129.01(14) 2_655 . ? N41 Li41 C41 129.01(14) . 2_655 ? N41 Li41 C41 86.98(15) 2_655 2_655 ? C41 Li41 C41 112.9(6) . 2_655 ? N41 Li41 Li42 121.4(3) . . ? N41 Li41 Li42 121.4(3) 2_655 . ? C41 Li41 Li42 56.4(3) . . ? C41 Li41 Li42 56.4(3) 2_655 . ? N42 Li42 N42 114.6(6) . 2_655 ? N42 Li42 C41 87.43(15) . . ? N42 Li42 C41 129.84(14) 2_655 . ? N42 Li42 C41 129.84(14) . 2_655 ? N42 Li42 C41 87.43(15) 2_655 2_655 ? C41 Li42 C41 113.0(5) . 2_655 ? N42 Li42 Li41 122.7(3) . . ? N42 Li42 Li41 122.7(3) 2_655 . ? C41 Li42 Li41 56.5(3) . . ? C41 Li42 Li41 56.5(3) 2_655 . ? N42 Li42 C410 31.86(13) . . ? N42 Li42 C410 142.9(5) 2_655 . ? C41 Li42 C410 58.78(15) . . ? C41 Li42 C410 124.8(3) 2_655 . ? Li41 Li42 C410 92.7(3) . . ? N42 Li42 C410 142.9(5) . 2_655 ? N42 Li42 C410 31.86(13) 2_655 2_655 ? C41 Li42 C410 124.8(3) . 2_655 ? C41 Li42 C410 58.77(15) 2_655 2_655 ? Li41 Li42 C410 92.7(3) . 2_655 ? C410 Li42 C410 174.5(5) . 2_655 ? 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 C16 C11 C12 C13 0.1(2) . . . . ? Li12 C11 C12 C13 139.1(5) . . . . ? Li11 C11 C12 C13 -150.7(3) . . . . ? C16 C11 C12 C17 -179.3(4) . . . . ? Li12 C11 C12 C17 -40.3(6) . . . . ? Li11 C11 C12 C17 29.9(4) . . . . ? C11 C12 C13 C14 -0.3(2) . . . . ? C17 C12 C13 C14 179.1(5) . . . . ? C12 C13 C14 C15 0.7(5) . . . . ? C13 C14 C15 C16 -1.0(6) . . . . ? C14 C15 C16 C11 0.8(6) . . . . ? C14 C15 C16 C110 178.1(4) . . . . ? C12 C11 C16 C15 -0.4(5) . . . . ? Li12 C11 C16 C15 -151.9(4) . . . . ? Li11 C11 C16 C15 138.5(5) . . . . ? C12 C11 C16 C110 -177.7(4) . . . . ? Li12 C11 C16 C110 30.8(4) . . . . ? Li11 C11 C16 C110 -38.9(6) . . . . ? C19 N11 C17 C12 168.2(4) . . . . ? C18 N11 C17 C12 -71.1(6) . . . . ? Li11 N11 C17 C12 45.2(5) . . . . ? C13 C12 C17 N11 124.2(4) . . . . ? C11 C12 C17 N11 -56.4(5) . . . . ? C112 N12 C110 C16 166.1(4) . . . . ? C111 N12 C110 C16 -72.6(5) . . . . ? Li12 N12 C110 C16 44.0(5) . . . . ? C112 N12 C110 Li12 122.1(4) . . . . ? C111 N12 C110 Li12 -116.6(4) . . . . ? C15 C16 C110 N12 126.4(4) . . . . ? C11 C16 C110 N12 -56.2(5) . . . . ? C15 C16 C110 Li12 158.7(4) . . . . ? C11 C16 C110 Li12 -23.9(4) . . . . ? C118 C113 C114 C115 -0.5(2) . . . . ? Li11 C113 C114 C115 150.5(5) . . . . ? Li12 C113 C114 C115 -144.9(3) . . . . ? C118 C113 C114 C119 -178.6(4) . . . . ? Li11 C113 C114 C119 -27.5(6) . . . . ? Li12 C113 C114 C119 37.0(4) . . . . ? C118 C113 C114 Li12 144.3(4) . . . . ? Li11 C113 C114 Li12 -64.6(5) . . . . ? C113 C114 C115 C116 0.2(2) . . . . ? C119 C114 C115 C116 178.3(4) . . . . ? Li12 C114 C115 C116 -69.8(8) . . . . ? C114 C115 C116 C117 -1.1(5) . . . . ? C115 C116 C117 C118 2.2(6) . . . . ? C116 C117 C118 C113 -2.6(6) . . . . ? C116 C117 C118 C122 177.5(4) . . . . ? C114 C113 C118 C117 1.7(4) . . . . ? Li11 C113 C118 C117 -158.7(4) . . . . ? Li12 C113 C118 C117 131.0(5) . . . . ? C114 C113 C118 C122 -178.4(4) . . . . ? Li11 C113 C118 C122 21.2(5) . . . . ? Li12 C113 C118 C122 -49.1(6) . . . . ? C121 N13 C119 C114 166.2(5) . . . . ? C120 N13 C119 C114 -72.3(6) . . . . ? Li12 N13 C119 C114 44.6(5) . . . . ? C121 N13 C119 Li12 121.6(5) . . . . ? C120 N13 C119 Li12 -117.0(5) . . . . ? C115 C114 C119 N13 118.7(4) . . . . ? C113 C114 C119 N13 -63.1(5) . . . . ? Li12 C114 C119 N13 -33.5(4) . . . . ? C115 C114 C119 Li12 152.2(3) . . . . ? C113 C114 C119 Li12 -29.6(3) . . . . ? C124 N14 C122 C118 -69.2(5) . . . . ? C123 N14 C122 C118 170.4(5) . . . . ? Li11 N14 C122 C118 45.8(5) . . . . ? C117 C118 C122 N14 130.1(4) . . . . ? C113 C118 C122 N14 -49.7(5) . . . . ? C124 N14 Li11 N11 -45.2(6) . . . . ? C123 N14 Li11 N11 81.5(6) . . . . ? C122 N14 Li11 N11 -159.9(4) . . . . ? C124 N14 Li11 C11 -155.9(5) . . . . ? C123 N14 Li11 C11 -29.2(8) . . . . ? C122 N14 Li11 C11 89.4(6) . . . . ? C124 N14 Li11 C113 87.5(4) . . . . ? C123 N14 Li11 C113 -145.8(4) . . . . ? C122 N14 Li11 C113 -27.2(4) . . . . ? C124 N14 Li11 Li12 133.0(5) . . . . ? C123 N14 Li11 Li12 -100.3(6) . . . . ? C122 N14 Li11 Li12 18.3(6) . . . . ? C19 N11 Li11 N14 82.1(6) . . . . ? C18 N11 Li11 N14 -43.5(6) . . . . ? C17 N11 Li11 N14 -159.0(4) . . . . ? C19 N11 Li11 C11 -142.1(5) . . . . ? C18 N11 Li11 C11 92.3(4) . . . . ? C17 N11 Li11 C11 -23.2(4) . . . . ? C19 N11 Li11 C113 -25.7(8) . . . . ? C18 N11 Li11 C113 -151.4(5) . . . . ? C17 N11 Li11 C113 93.1(6) . . . . ? C19 N11 Li11 Li12 -96.0(6) . . . . ? C18 N11 Li11 Li12 138.3(5) . . . . ? C17 N11 Li11 Li12 22.8(6) . . . . ? C12 C11 Li11 N14 120.2(6) . . . . ? C16 C11 Li11 N14 -22.4(9) . . . . ? Li12 C11 Li11 N14 -106.2(6) . . . . ? C12 C11 Li11 N11 -2.4(4) . . . . ? C16 C11 Li11 N11 -145.0(4) . . . . ? Li12 C11 Li11 N11 131.2(4) . . . . ? C12 C11 Li11 C113 -134.2(4) . . . . ? C16 C11 Li11 C113 83.2(6) . . . . ? Li12 C11 Li11 C113 -0.6(4) . . . . ? C12 C11 Li11 Li12 -133.6(4) . . . . ? C16 C11 Li11 Li12 83.8(5) . . . . ? C114 C113 Li11 N14 -148.9(4) . . . . ? C118 C113 Li11 N14 4.5(4) . . . . ? Li12 C113 Li11 N14 134.7(4) . . . . ? C114 C113 Li11 N11 -27.9(8) . . . . ? C118 C113 Li11 N11 125.4(5) . . . . ? Li12 C113 Li11 N11 -104.3(6) . . . . ? C114 C113 Li11 C11 77.0(6) . . . . ? C118 C113 Li11 C11 -129.6(4) . . . . ? Li12 C113 Li11 C11 0.6(4) . . . . ? C114 C113 Li11 Li12 76.4(5) . . . . ? C118 C113 Li11 Li12 -130.2(4) . . . . ? C112 N12 Li12 N13 86.7(5) . . . . ? C111 N12 Li12 N13 -39.3(6) . . . . ? C110 N12 Li12 N13 -155.5(4) . . . . ? C112 N12 Li12 C11 -140.1(4) . . . . ? C111 N12 Li12 C11 93.9(4) . . . . ? C110 N12 Li12 C11 -22.3(4) . . . . ? C112 N12 Li12 C113 -22.8(7) . . . . ? C111 N12 Li12 C113 -148.8(5) . . . . ? C110 N12 Li12 C113 95.0(6) . . . . ? C112 N12 Li12 Li11 -91.4(6) . . . . ? C111 N12 Li12 Li11 142.6(5) . . . . ? C110 N12 Li12 Li11 26.4(5) . . . . ? C112 N12 Li12 C119 61.0(8) . . . . ? C111 N12 Li12 C119 -65.0(7) . . . . ? C110 N12 Li12 C119 178.8(6) . . . . ? C112 N12 Li12 C110 -117.8(5) . . . . ? C111 N12 Li12 C110 116.2(4) . . . . ? C112 N12 Li12 C114 15.2(7) . . . . ? C111 N12 Li12 C114 -110.8(6) . . . . ? C110 N12 Li12 C114 133.0(5) . . . . ? C121 N13 Li12 N12 92.6(6) . . . . ? C120 N13 Li12 N12 -35.6(6) . . . . ? C119 N13 Li12 N12 -150.6(4) . . . . ? C121 N13 Li12 C11 -18.8(7) . . . . ? C120 N13 Li12 C11 -147.0(5) . . . . ? C119 N13 Li12 C11 98.0(6) . . . . ? C121 N13 Li12 C113 -136.9(4) . . . . ? C120 N13 Li12 C113 94.9(4) . . . . ? C119 N13 Li12 C113 -20.1(4) . . . . ? C121 N13 Li12 Li11 -89.3(6) . . . . ? C120 N13 Li12 Li11 142.5(5) . . . . ? C119 N13 Li12 Li11 27.5(6) . . . . ? C121 N13 Li12 C119 -116.8(5) . . . . ? C120 N13 Li12 C119 115.0(5) . . . . ? C121 N13 Li12 C110 70.3(8) . . . . ? C120 N13 Li12 C110 -57.9(8) . . . . ? C119 N13 Li12 C110 -172.9(7) . . . . ? C121 N13 Li12 C114 -141.3(4) . . . . ? C120 N13 Li12 C114 90.4(4) . . . . ? C119 N13 Li12 C114 -24.5(3) . . . . ? C12 C11 Li12 N12 -146.1(4) . . . . ? C16 C11 Li12 N12 -3.2(4) . . . . ? Li11 C11 Li12 N12 129.5(4) . . . . ? C12 C11 Li12 N13 -21.7(8) . . . . ? C16 C11 Li12 N13 121.1(5) . . . . ? Li11 C11 Li12 N13 -106.2(6) . . . . ? C12 C11 Li12 C113 85.1(6) . . . . ? C16 C11 Li12 C113 -132.1(4) . . . . ? Li11 C11 Li12 C113 0.6(4) . . . . ? C12 C11 Li12 Li11 84.4(5) . . . . ? C16 C11 Li12 Li11 -132.7(4) . . . . ? C12 C11 Li12 C119 18.5(7) . . . . ? C16 C11 Li12 C119 161.4(4) . . . . ? Li11 C11 Li12 C119 -65.9(5) . . . . ? C12 C11 Li12 C110 -159.5(5) . . . . ? C16 C11 Li12 C110 -16.7(3) . . . . ? Li11 C11 Li12 C110 116.0(3) . . . . ? C12 C11 Li12 C114 58.5(7) . . . . ? C16 C11 Li12 C114 -158.6(5) . . . . ? Li11 C11 Li12 C114 -25.9(5) . . . . ? C114 C113 Li12 N12 115.7(5) . . . . ? C118 C113 Li12 N12 -19.3(8) . . . . ? Li11 C113 Li12 N12 -105.9(6) . . . . ? C114 C113 Li12 N13 -7.6(3) . . . . ? C118 C113 Li12 N13 -142.6(4) . . . . ? Li11 C113 Li12 N13 130.8(4) . . . . ? C114 C113 Li12 C11 -139.0(4) . . . . ? C118 C113 Li12 C11 86.0(6) . . . . ? Li11 C113 Li12 C11 -0.6(4) . . . . ? C114 C113 Li12 Li11 -138.3(3) . . . . ? C118 C113 Li12 Li11 86.6(5) . . . . ? C114 C113 Li12 C119 -19.9(2) . . . . ? C118 C113 Li12 C119 -155.0(5) . . . . ? Li11 C113 Li12 C119 118.4(3) . . . . ? C114 C113 Li12 C110 154.2(4) . . . . ? C118 C113 Li12 C110 19.2(7) . . . . ? Li11 C113 Li12 C110 -67.5(5) . . . . ? C118 C113 Li12 C114 -135.0(5) . . . . ? Li11 C113 Li12 C114 138.3(3) . . . . ? N14 Li11 Li12 N12 57.2(7) . . . . ? N11 Li11 Li12 N12 -124.7(5) . . . . ? C11 Li11 Li12 N12 -63.9(4) . . . . ? C113 Li11 Li12 N12 115.4(5) . . . . ? N14 Li11 Li12 N13 -120.8(5) . . . . ? N11 Li11 Li12 N13 57.3(7) . . . . ? C11 Li11 Li12 N13 118.1(5) . . . . ? C113 Li11 Li12 N13 -62.7(4) . . . . ? N14 Li11 Li12 C11 121.2(5) . . . . ? N11 Li11 Li12 C11 -60.8(4) . . . . ? C113 Li11 Li12 C11 179.3(4) . . . . ? N14 Li11 Li12 C113 -58.1(5) . . . . ? N11 Li11 Li12 C113 119.9(5) . . . . ? C11 Li11 Li12 C113 -179.3(4) . . . . ? N14 Li11 Li12 C119 -106.6(5) . . . . ? N11 Li11 Li12 C119 71.4(5) . . . . ? C11 Li11 Li12 C119 132.2(4) . . . . ? C113 Li11 Li12 C119 -48.5(3) . . . . ? N14 Li11 Li12 C110 70.8(5) . . . . ? N11 Li11 Li12 C110 -111.2(5) . . . . ? C11 Li11 Li12 C110 -50.4(3) . . . . ? C113 Li11 Li12 C110 128.9(3) . . . . ? N14 Li11 Li12 C114 -77.7(5) . . . . ? N11 Li11 Li12 C114 100.3(5) . . . . ? C11 Li11 Li12 C114 161.1(4) . . . . ? C113 Li11 Li12 C114 -19.59(18) . . . . ? N13 C119 Li12 N12 46.7(6) . . . . ? C114 C119 Li12 N12 -90.5(7) . . . . ? C114 C119 Li12 N13 -137.2(5) . . . . ? N13 C119 Li12 C11 -107.0(5) . . . . ? C114 C119 Li12 C11 115.8(5) . . . . ? N13 C119 Li12 C113 156.2(5) . . . . ? C114 C119 Li12 C113 19.0(2) . . . . ? N13 C119 Li12 Li11 -156.8(5) . . . . ? C114 C119 Li12 Li11 66.0(4) . . . . ? N13 C119 Li12 C110 54(4) . . . . ? C114 C119 Li12 C110 -83(4) . . . . ? N13 C119 Li12 C114 137.2(5) . . . . ? C16 C110 Li12 N12 -137.9(4) . . . . ? N12 C110 Li12 N13 39.8(7) . . . . ? C16 C110 Li12 N13 -98.1(7) . . . . ? N12 C110 Li12 C11 153.7(4) . . . . ? C16 C110 Li12 C11 15.8(2) . . . . ? N12 C110 Li12 C113 -107.3(5) . . . . ? C16 C110 Li12 C113 114.8(5) . . . . ? N12 C110 Li12 Li11 -157.5(5) . . . . ? C16 C110 Li12 Li11 64.6(4) . . . . ? N12 C110 Li12 C119 -8(4) . . . . ? C16 C110 Li12 C119 -146(4) . . . . ? N12 C110 Li12 C114 -83.5(7) . . . . ? C16 C110 Li12 C114 138.6(7) . . . . ? C115 C114 Li12 N12 1.7(12) . . . . ? C113 C114 Li12 N12 -89.2(6) . . . . ? C119 C114 Li12 N12 124.6(6) . . . . ? C115 C114 Li12 N13 -98.1(8) . . . . ? C113 C114 Li12 N13 171.1(4) . . . . ? C119 C114 Li12 N13 24.9(3) . . . . ? C115 C114 Li12 C11 146.7(7) . . . . ? C113 C114 Li12 C11 55.9(5) . . . . ? C119 C114 Li12 C11 -90.3(6) . . . . ? C115 C114 Li12 C113 90.8(9) . . . . ? C119 C114 Li12 C113 -146.2(4) . . . . ? C115 C114 Li12 Li11 125.0(8) . . . . ? C113 C114 Li12 Li11 34.1(3) . . . . ? C119 C114 Li12 Li11 -112.1(4) . . . . ? C115 C114 Li12 C119 -123.0(9) . . . . ? C113 C114 Li12 C119 146.2(4) . . . . ? C115 C114 Li12 C110 47.6(12) . . . . ? C113 C114 Li12 C110 -43.2(6) . . . . ? C119 C114 Li12 C110 170.6(8) . . . . ? C26 C21 C22 C23 -0.5(2) . . . . ? Li21 C21 C22 C23 -155.9(3) . . . . ? Li22 C21 C22 C23 134.4(5) . . . . ? C26 C21 C22 C27 179.8(4) . . . . ? Li21 C21 C22 C27 24.4(4) . . . . ? Li22 C21 C22 C27 -45.3(6) . . . . ? C21 C22 C23 C24 -0.5(2) . . . . ? C27 C22 C23 C24 179.3(4) . . . . ? C22 C23 C24 C25 0.6(4) . . . . ? C23 C24 C25 C26 0.2(6) . . . . ? C24 C25 C26 C21 -1.3(6) . . . . ? C24 C25 C26 C210 177.2(4) . . . . ? C22 C21 C26 C25 1.4(4) . . . . ? Li21 C21 C26 C25 144.6(5) . . . . ? Li22 C21 C26 C25 -148.0(4) . . . . ? C22 C21 C26 C210 -177.1(4) . . . . ? Li21 C21 C26 C210 -33.9(6) . . . . ? Li22 C21 C26 C210 33.5(4) . . . . ? C28 N21 C27 C22 -68.1(5) . . . . ? C29 N21 C27 C22 171.6(4) . . . . ? Li21 N21 C27 C22 46.2(4) . . . . ? C28 N21 C27 Li21 -114.3(4) . . . . ? C29 N21 C27 Li21 125.4(4) . . . . ? C23 C22 C27 N21 127.4(3) . . . . ? C21 C22 C27 N21 -52.8(5) . . . . ? C23 C22 C27 Li21 160.8(3) . . . . ? C21 C22 C27 Li21 -19.4(3) . . . . ? C212 N22 C210 C26 170.0(4) . . . . ? C211 N22 C210 C26 -68.8(5) . . . . ? Li22 N22 C210 C26 45.4(5) . . . . ? C212 N22 C210 Li22 124.7(5) . . . . ? C211 N22 C210 Li22 -114.1(5) . . . . ? C25 C26 C210 N22 121.0(4) . . . . ? C21 C26 C210 N22 -60.4(5) . . . . ? C25 C26 C210 Li22 154.6(4) . . . . ? C21 C26 C210 Li22 -26.9(4) . . . . ? C218 C213 C214 C215 -0.2(2) . . . . ? Li22 C213 C214 C215 -155.0(3) . . . . ? Li21 C213 C214 C215 133.6(5) . . . . ? C218 C213 C214 C219 -178.7(4) . . . . ? Li22 C213 C214 C219 26.5(4) . . . . ? Li21 C213 C214 C219 -44.9(5) . . . . ? C213 C214 C215 C216 -0.2(2) . . . . ? C219 C214 C215 C216 178.3(4) . . . . ? C214 C215 C216 C217 0.3(4) . . . . ? C215 C216 C217 C218 0.0(6) . . . . ? C216 C217 C218 C213 -0.5(6) . . . . ? C216 C217 C218 C222 -179.6(4) . . . . ? C214 C213 C218 C217 0.5(4) . . . . ? Li22 C213 C218 C217 144.2(5) . . . . ? Li21 C213 C218 C217 -147.8(4) . . . . ? C214 C213 C218 C222 179.7(3) . . . . ? Li22 C213 C218 C222 -36.6(6) . . . . ? Li21 C213 C218 C222 31.4(4) . . . . ? C221 N23 C219 C214 168.7(4) . . . . ? C220 N23 C219 C214 -69.1(5) . . . . ? Li22 N23 C219 C214 45.7(5) . . . . ? C221 N23 C219 Li22 122.9(5) . . . . ? C220 N23 C219 Li22 -114.8(5) . . . . ? C215 C214 C219 N23 127.6(3) . . . . ? C213 C214 C219 N23 -53.8(5) . . . . ? C215 C214 C219 Li22 160.8(3) . . . . ? C213 C214 C219 Li22 -20.6(3) . . . . ? C223 N24 C222 C218 169.2(4) . . . . ? C224 N24 C222 C218 -70.6(5) . . . . ? Li21 N24 C222 C218 47.8(4) . . . . ? C223 N24 C222 Li21 121.4(4) . . . . ? C224 N24 C222 Li21 -118.4(4) . . . . ? C217 C218 C222 N24 118.9(4) . . . . ? C213 C218 C222 N24 -60.3(5) . . . . ? C217 C218 C222 Li21 153.9(4) . . . . ? C213 C218 C222 Li21 -25.3(3) . . . . ? C28 N21 Li21 N24 -45.6(5) . . . . ? C29 N21 Li21 N24 79.8(5) . . . . ? C27 N21 Li21 N24 -160.4(4) . . . . ? C28 N21 Li21 C21 88.5(4) . . . . ? C29 N21 Li21 C21 -146.1(4) . . . . ? C27 N21 Li21 C21 -26.4(3) . . . . ? C28 N21 Li21 C213 -154.2(5) . . . . ? C29 N21 Li21 C213 -28.8(7) . . . . ? C27 N21 Li21 C213 90.9(6) . . . . ? C28 N21 Li21 Li22 133.0(5) . . . . ? C29 N21 Li21 Li22 -101.6(5) . . . . ? C27 N21 Li21 Li22 18.2(5) . . . . ? C28 N21 Li21 C222 -61.8(7) . . . . ? C29 N21 Li21 C222 63.6(7) . . . . ? C27 N21 Li21 C222 -176.7(5) . . . . ? C28 N21 Li21 C27 114.9(4) . . . . ? C29 N21 Li21 C27 -119.7(4) . . . . ? C223 N24 Li21 N21 81.5(5) . . . . ? C224 N24 Li21 N21 -45.2(5) . . . . ? C222 N24 Li21 N21 -160.7(4) . . . . ? C223 N24 Li21 C21 -25.5(7) . . . . ? C224 N24 Li21 C21 -152.3(5) . . . . ? C222 N24 Li21 C21 92.3(6) . . . . ? C223 N24 Li21 C213 -142.5(4) . . . . ? C224 N24 Li21 C213 90.8(4) . . . . ? C222 N24 Li21 C213 -24.7(3) . . . . ? C223 N24 Li21 Li22 -97.1(5) . . . . ? C224 N24 Li21 Li22 136.1(5) . . . . ? C222 N24 Li21 Li22 20.7(5) . . . . ? C223 N24 Li21 C222 -117.8(4) . . . . ? C224 N24 Li21 C222 115.4(4) . . . . ? C223 N24 Li21 C27 65.2(7) . . . . ? C224 N24 Li21 C27 -61.5(7) . . . . ? C222 N24 Li21 C27 -177.0(5) . . . . ? C26 C21 Li21 N21 -144.2(4) . . . . ? C22 C21 Li21 N21 2.3(3) . . . . ? Li22 C21 Li21 N21 136.4(4) . . . . ? C26 C21 Li21 N24 -26.4(9) . . . . ? C22 C21 Li21 N24 120.1(5) . . . . ? Li22 C21 Li21 N24 -105.9(6) . . . . ? C26 C21 Li21 C213 80.2(6) . . . . ? C22 C21 Li21 C213 -133.3(3) . . . . ? Li22 C21 Li21 C213 0.8(4) . . . . ? C26 C21 Li21 Li22 79.4(5) . . . . ? C22 C21 Li21 Li22 -134.1(3) . . . . ? C26 C21 Li21 C222 13.6(7) . . . . ? C22 C21 Li21 C222 160.1(4) . . . . ? Li22 C21 Li21 C222 -65.8(4) . . . . ? C26 C21 Li21 C27 -159.9(5) . . . . ? C22 C21 Li21 C27 -13.4(2) . . . . ? Li22 C21 Li21 C27 120.7(3) . . . . ? C214 C213 Li21 N21 -22.3(8) . . . . ? C218 C213 Li21 N21 116.4(5) . . . . ? Li22 C213 Li21 N21 -108.2(6) . . . . ? C214 C213 Li21 N24 -141.0(4) . . . . ? C218 C213 Li21 N24 -2.3(3) . . . . ? Li22 C213 Li21 N24 133.1(4) . . . . ? C214 C213 Li21 C21 85.1(5) . . . . ? C218 C213 Li21 C21 -136.3(4) . . . . ? Li22 C213 Li21 C21 -0.8(4) . . . . ? C214 C213 Li21 Li22 85.9(5) . . . . ? C218 C213 Li21 Li22 -135.5(4) . . . . ? C214 C213 Li21 C222 -155.8(5) . . . . ? C218 C213 Li21 C222 -17.2(3) . . . . ? Li22 C213 Li21 C222 118.3(3) . . . . ? C214 C213 Li21 C27 18.0(7) . . . . ? C218 C213 Li21 C27 156.7(4) . . . . ? Li22 C213 Li21 C27 -67.9(4) . . . . ? N24 C222 Li21 N21 29.5(5) . . . . ? C218 C222 Li21 N21 -105.1(6) . . . . ? C218 C222 Li21 N24 -134.6(4) . . . . ? N24 C222 Li21 C21 -113.2(5) . . . . ? C218 C222 Li21 C21 112.2(5) . . . . ? N24 C222 Li21 C213 150.9(4) . . . . ? C218 C222 Li21 C213 16.4(2) . . . . ? N24 C222 Li21 Li22 -162.6(4) . . . . ? C218 C222 Li21 Li22 62.8(3) . . . . ? N24 C222 Li21 C27 15(3) . . . . ? C218 C222 Li21 C27 -119(3) . . . . ? C22 C27 Li21 N21 -136.4(4) . . . . ? N21 C27 Li21 N24 29.7(6) . . . . ? C22 C27 Li21 N24 -106.7(6) . . . . ? N21 C27 Li21 C21 148.9(4) . . . . ? C22 C27 Li21 C21 12.6(2) . . . . ? N21 C27 Li21 C213 -115.3(5) . . . . ? C22 C27 Li21 C213 108.3(5) . . . . ? N21 C27 Li21 Li22 -165.2(4) . . . . ? C22 C27 Li21 Li22 58.5(3) . . . . ? N21 C27 Li21 C222 17(3) . . . . ? C22 C27 Li21 C222 -120(3) . . . . ? C221 N23 Li22 N22 83.3(6) . . . . ? C220 N23 Li22 N22 -43.2(6) . . . . ? C219 N23 Li22 N22 -158.4(4) . . . . ? C221 N23 Li22 C213 -143.2(4) . . . . ? C220 N23 Li22 C213 90.4(4) . . . . ? C219 N23 Li22 C213 -24.9(4) . . . . ? C221 N23 Li22 C21 -26.8(7) . . . . ? C220 N23 Li22 C21 -153.2(5) . . . . ? C219 N23 Li22 C21 91.5(6) . . . . ? C221 N23 Li22 Li21 -97.0(6) . . . . ? C220 N23 Li22 Li21 136.6(5) . . . . ? C219 N23 Li22 Li21 21.3(6) . . . . ? C221 N23 Li22 C210 61.7(8) . . . . ? C220 N23 Li22 C210 -64.7(8) . . . . ? C219 N23 Li22 C210 -180.0(6) . . . . ? C221 N23 Li22 C219 -118.3(5) . . . . ? C220 N23 Li22 C219 115.3(5) . . . . ? C212 N22 Li22 N23 85.3(6) . . . . ? C211 N22 Li22 N23 -42.6(6) . . . . ? C210 N22 Li22 N23 -155.5(4) . . . . ? C212 N22 Li22 C213 -23.4(7) . . . . ? C211 N22 Li22 C213 -151.2(5) . . . . ? C210 N22 Li22 C213 95.9(5) . . . . ? C212 N22 Li22 C21 -140.8(4) . . . . ? C211 N22 Li22 C21 91.4(4) . . . . ? C210 N22 Li22 C21 -21.5(4) . . . . ? C212 N22 Li22 Li21 -94.5(6) . . . . ? C211 N22 Li22 Li21 137.7(5) . . . . ? C210 N22 Li22 Li21 24.8(6) . . . . ? C212 N22 Li22 C210 -119.3(5) . . . . ? C211 N22 Li22 C210 112.9(4) . . . . ? C212 N22 Li22 C219 66.4(8) . . . . ? C211 N22 Li22 C219 -61.5(8) . . . . ? C210 N22 Li22 C219 -174.4(6) . . . . ? C214 C213 Li22 N23 0.3(3) . . . . ? C218 C213 Li22 N23 -146.5(4) . . . . ? Li21 C213 Li22 N23 133.1(4) . . . . ? C214 C213 Li22 N22 121.2(5) . . . . ? C218 C213 Li22 N22 -25.7(8) . . . . ? Li21 C213 Li22 N22 -106.1(6) . . . . ? C214 C213 Li22 C21 -131.9(4) . . . . ? C218 C213 Li22 C21 81.2(6) . . . . ? Li21 C213 Li22 C21 0.8(4) . . . . ? C214 C213 Li22 Li21 -132.7(3) . . . . ? C218 C213 Li22 Li21 80.4(5) . . . . ? C214 C213 Li22 C210 162.1(4) . . . . ? C218 C213 Li22 C210 15.3(7) . . . . ? Li21 C213 Li22 C210 -65.2(4) . . . . ? C214 C213 Li22 C219 -14.6(2) . . . . ? C218 C213 Li22 C219 -161.5(5) . . . . ? Li21 C213 Li22 C219 118.1(3) . . . . ? C26 C21 Li22 N23 116.8(5) . . . . ? C22 C21 Li22 N23 -22.6(8) . . . . ? Li21 C21 Li22 N23 -106.0(6) . . . . ? C26 C21 Li22 N22 -4.9(4) . . . . ? C22 C21 Li22 N22 -144.4(4) . . . . ? Li21 C21 Li22 N22 132.2(4) . . . . ? C26 C21 Li22 C213 -137.9(4) . . . . ? C22 C21 Li22 C213 82.6(6) . . . . ? Li21 C21 Li22 C213 -0.8(4) . . . . ? C26 C21 Li22 Li21 -137.1(4) . . . . ? C22 C21 Li22 Li21 83.4(5) . . . . ? C26 C21 Li22 C210 -18.2(3) . . . . ? C22 C21 Li22 C210 -157.7(5) . . . . ? Li21 C21 Li22 C210 118.9(3) . . . . ? C26 C21 Li22 C219 156.0(4) . . . . ? C22 C21 Li22 C219 16.5(7) . . . . ? Li21 C21 Li22 C219 -66.9(4) . . . . ? N21 Li21 Li22 N23 61.8(7) . . . . ? N24 Li21 Li22 N23 -119.7(5) . . . . ? C21 Li21 Li22 N23 119.2(5) . . . . ? C213 Li21 Li22 N23 -59.9(4) . . . . ? C222 Li21 Li22 N23 -109.0(5) . . . . ? C27 Li21 Li22 N23 71.2(5) . . . . ? N21 Li21 Li22 N22 -118.4(5) . . . . ? N24 Li21 Li22 N22 60.0(7) . . . . ? C21 Li21 Li22 N22 -61.1(4) . . . . ? C213 Li21 Li22 N22 119.8(5) . . . . ? C222 Li21 Li22 N22 70.7(5) . . . . ? C27 Li21 Li22 N22 -109.0(5) . . . . ? N21 Li21 Li22 C213 121.7(5) . . . . ? N24 Li21 Li22 C213 -59.8(4) . . . . ? C21 Li21 Li22 C213 179.1(4) . . . . ? C222 Li21 Li22 C213 -49.1(2) . . . . ? C27 Li21 Li22 C213 131.2(3) . . . . ? N21 Li21 Li22 C21 -57.4(4) . . . . ? N24 Li21 Li22 C21 121.1(5) . . . . ? C213 Li21 Li22 C21 -179.1(4) . . . . ? C222 Li21 Li22 C21 131.8(3) . . . . ? C27 Li21 Li22 C21 -48.0(3) . . . . ? N21 Li21 Li22 C210 -105.5(5) . . . . ? N24 Li21 Li22 C210 72.9(5) . . . . ? C21 Li21 Li22 C210 -48.2(2) . . . . ? C213 Li21 Li22 C210 132.7(4) . . . . ? C222 Li21 Li22 C210 83.6(3) . . . . ? C27 Li21 Li22 C210 -96.1(3) . . . . ? N21 Li21 Li22 C219 72.8(5) . . . . ? N24 Li21 Li22 C219 -108.7(4) . . . . ? C21 Li21 Li22 C219 130.2(4) . . . . ? C213 Li21 Li22 C219 -48.9(2) . . . . ? C222 Li21 Li22 C219 -98.0(3) . . . . ? C27 Li21 Li22 C219 82.2(3) . . . . ? N22 C210 Li22 N23 38.7(6) . . . . ? C26 C210 Li22 N23 -98.6(7) . . . . ? C26 C210 Li22 N22 -137.2(5) . . . . ? N22 C210 Li22 C213 -110.1(6) . . . . ? C26 C210 Li22 C213 112.7(5) . . . . ? N22 C210 Li22 C21 154.5(4) . . . . ? C26 C210 Li22 C21 17.3(2) . . . . ? N22 C210 Li22 Li21 -159.2(5) . . . . ? C26 C210 Li22 Li21 63.6(4) . . . . ? N22 C210 Li22 C219 39(4) . . . . ? C26 C210 Li22 C219 -99(4) . . . . ? C214 C219 Li22 N23 -136.9(4) . . . . ? N23 C219 Li22 N22 34.0(6) . . . . ? C214 C219 Li22 N22 -102.9(7) . . . . ? N23 C219 Li22 C213 150.5(4) . . . . ? C214 C219 Li22 C213 13.7(2) . . . . ? N23 C219 Li22 C21 -112.6(5) . . . . ? C214 C219 Li22 C21 110.5(5) . . . . ? N23 C219 Li22 Li21 -162.1(5) . . . . ? C214 C219 Li22 Li21 61.0(3) . . . . ? N23 C219 Li22 C210 0(4) . . . . ? C214 C219 Li22 C210 -137(4) . . . . ? C36 C31 C32 C33 -0.4(2) . . . . ? Li31 C31 C32 C33 -153.6(3) . . . . ? Li32 C31 C32 C33 138.8(5) . . . . ? C36 C31 C32 C37 -177.6(4) . . . . ? Li31 C31 C32 C37 29.2(3) . . . . ? Li32 C31 C32 C37 -38.4(5) . . . . ? C31 C32 C33 C34 -0.2(2) . . . . ? C37 C32 C33 C34 176.9(4) . . . . ? C32 C33 C34 C35 0.0(4) . . . . ? C33 C34 C35 C36 1.0(6) . . . . ? C34 C35 C36 C31 -1.7(6) . . . . ? C34 C35 C36 C310 178.3(4) . . . . ? C32 C31 C36 C35 1.4(4) . . . . ? Li31 C31 C36 C35 142.1(5) . . . . ? Li32 C31 C36 C35 -150.8(4) . . . . ? C32 C31 C36 C310 -178.6(3) . . . . ? Li31 C31 C36 C310 -37.9(6) . . . . ? Li32 C31 C36 C310 29.2(4) . . . . ? C38 N31 C37 C32 -67.0(5) . . . . ? C39 N31 C37 C32 172.8(4) . . . . ? Li31 N31 C37 C32 48.6(4) . . . . ? C33 C32 C37 N31 123.7(3) . . . . ? C31 C32 C37 N31 -59.0(5) . . . . ? C311 N32 C310 C36 -66.1(5) . . . . ? C312 N32 C310 C36 172.9(4) . . . . ? Li32 N32 C310 C36 47.1(4) . . . . ? C35 C36 C310 N32 122.4(4) . . . . ? C31 C36 C310 N32 -57.6(5) . . . . ? C38 N31 Li31 N31 -44.1(3) . . . 2_756 ? C39 N31 Li31 N31 82.2(4) . . . 2_756 ? C37 N31 Li31 N31 -160.0(3) . . . 2_756 ? C38 N31 Li31 C31 -150.4(6) . . . 2_756 ? C39 N31 Li31 C31 -24.0(8) . . . 2_756 ? C37 N31 Li31 C31 93.8(6) . . . 2_756 ? C38 N31 Li31 C31 89.8(4) . . . . ? C39 N31 Li31 C31 -143.8(3) . . . . ? C37 N31 Li31 C31 -26.0(3) . . . . ? C38 N31 Li31 Li32 135.9(3) . . . . ? C39 N31 Li31 Li32 -97.8(4) . . . . ? C37 N31 Li31 Li32 20.0(3) . . . . ? C36 C31 Li31 N31 -144.4(4) . . . . ? C32 C31 Li31 N31 -0.3(3) . . . . ? Li32 C31 Li31 N31 134.6(2) . . . . ? C36 C31 Li31 N31 -27.2(9) . . . 2_756 ? C32 C31 Li31 N31 116.9(5) . . . 2_756 ? Li32 C31 Li31 N31 -108.2(6) . . . 2_756 ? C36 C31 Li31 C31 81.0(5) . . . 2_756 ? C32 C31 Li31 C31 -134.9(2) . . . 2_756 ? Li32 C31 Li31 C31 -0.002(1) . . . 2_756 ? C36 C31 Li31 Li32 81.1(5) . . . . ? C32 C31 Li31 Li32 -134.9(2) . . . . ? C311 N32 Li32 N32 -44.9(3) . . . 2_756 ? C312 N32 Li32 N32 81.1(4) . . . 2_756 ? C310 N32 Li32 N32 -159.6(3) . . . 2_756 ? C311 N32 Li32 C31 -152.4(5) . . . 2_756 ? C312 N32 Li32 C31 -26.4(8) . . . 2_756 ? C310 N32 Li32 C31 92.9(6) . . . 2_756 ? C311 N32 Li32 C31 89.7(4) . . . . ? C312 N32 Li32 C31 -144.4(4) . . . . ? C310 N32 Li32 C31 -25.1(3) . . . . ? C311 N32 Li32 Li31 135.1(3) . . . . ? C312 N32 Li32 Li31 -98.9(4) . . . . ? C310 N32 Li32 Li31 20.4(3) . . . . ? C36 C31 Li32 N32 117.9(5) . . . 2_756 ? C32 C31 Li32 N32 -24.9(9) . . . 2_756 ? Li31 C31 Li32 N32 -106.8(5) . . . 2_756 ? C36 C31 Li32 N32 -1.0(3) . . . . ? C32 C31 Li32 N32 -143.8(4) . . . . ? Li31 C31 Li32 N32 134.3(2) . . . . ? C36 C31 Li32 C31 -135.3(3) . . . 2_756 ? C32 C31 Li32 C31 81.9(4) . . . 2_756 ? Li31 C31 Li32 C31 0.002(1) . . . 2_756 ? C36 C31 Li32 Li31 -135.3(3) . . . . ? C32 C31 Li32 Li31 81.9(4) . . . . ? N31 Li31 Li32 N32 62.59(14) . . . 2_756 ? N31 Li31 Li32 N32 -117.41(14) 2_756 . . 2_756 ? C31 Li31 Li32 N32 -58.55(16) 2_756 . . 2_756 ? C31 Li31 Li32 N32 121.45(16) . . . 2_756 ? N31 Li31 Li32 N32 -117.41(14) . . . . ? N31 Li31 Li32 N32 62.59(14) 2_756 . . . ? C31 Li31 Li32 N32 121.44(16) 2_756 . . . ? C31 Li31 Li32 N32 -58.55(16) . . . . ? N31 Li31 Li32 C31 121.14(16) . . . 2_756 ? N31 Li31 Li32 C31 -58.86(16) 2_756 . . 2_756 ? C31 Li31 Li32 C31 180.002(1) . . . 2_756 ? N31 Li31 Li32 C31 -58.86(16) . . . . ? N31 Li31 Li32 C31 121.14(16) 2_756 . . . ? C31 Li31 Li32 C31 179.998(1) 2_756 . . . ? C46 C41 C42 C43 -0.5(2) . . . . ? Li42 C41 C42 C43 138.1(5) . . . . ? Li41 C41 C42 C43 -152.7(3) . . . . ? C46 C41 C42 C47 -177.7(4) . . . . ? Li42 C41 C42 C47 -39.2(6) . . . . ? Li41 C41 C42 C47 30.0(4) . . . . ? C41 C42 C43 C44 -0.2(2) . . . . ? C47 C42 C43 C44 177.0(4) . . . . ? C42 C43 C44 C45 -0.1(5) . . . . ? C43 C44 C45 C46 1.0(6) . . . . ? C44 C45 C46 C41 -1.7(6) . . . . ? C44 C45 C46 C410 178.6(4) . . . . ? C42 C41 C46 C45 1.4(4) . . . . ? Li42 C41 C46 C45 -150.1(4) . . . . ? Li41 C41 C46 C45 141.4(5) . . . . ? C42 C41 C46 C410 -178.9(3) . . . . ? Li42 C41 C46 C410 29.7(4) . . . . ? Li41 C41 C46 C410 -38.8(7) . . . . ? C49 N41 C47 C42 170.3(4) . . . . ? C48 N41 C47 C42 -68.8(5) . . . . ? Li41 N41 C47 C42 45.0(4) . . . . ? C43 C42 C47 N41 126.5(3) . . . . ? C41 C42 C47 N41 -56.2(5) . . . . ? C412 N42 C410 C46 169.9(4) . . . . ? C411 N42 C410 C46 -68.5(5) . . . . ? Li42 N42 C410 C46 46.5(4) . . . . ? C412 N42 C410 Li42 123.4(4) . . . . ? C411 N42 C410 Li42 -114.9(4) . . . . ? C45 C46 C410 N42 122.1(4) . . . . ? C41 C46 C410 N42 -57.7(5) . . . . ? C45 C46 C410 Li42 156.5(4) . . . . ? C41 C46 C410 Li42 -23.3(4) . . . . ? C49 N41 Li41 N41 83.9(4) . . . 2_655 ? C48 N41 Li41 N41 -41.1(3) . . . 2_655 ? C47 N41 Li41 N41 -156.1(3) . . . 2_655 ? C49 N41 Li41 C41 -143.1(4) . . . . ? C48 N41 Li41 C41 91.8(4) . . . . ? C47 N41 Li41 C41 -23.2(3) . . . . ? C49 N41 Li41 C41 -25.9(8) . . . 2_655 ? C48 N41 Li41 C41 -150.9(6) . . . 2_655 ? C47 N41 Li41 C41 94.1(6) . . . 2_655 ? C49 N41 Li41 Li42 -96.1(4) . . . . ? C48 N41 Li41 Li42 138.9(3) . . . . ? C47 N41 Li41 Li42 23.9(3) . . . . ? C46 C41 Li41 N41 -145.9(4) . . . . ? C42 C41 Li41 N41 -2.6(3) . . . . ? Li42 C41 Li41 N41 131.4(2) . . . . ? C46 C41 Li41 N41 -22.9(9) . . . 2_655 ? C42 C41 Li41 N41 120.5(6) . . . 2_655 ? Li42 C41 Li41 N41 -105.5(6) . . . 2_655 ? C46 C41 Li41 C41 82.6(5) . . . 2_655 ? C42 C41 Li41 C41 -134.0(2) . . . 2_655 ? Li42 C41 Li41 C41 0.0 . . . 2_655 ? C46 C41 Li41 Li42 82.6(5) . . . . ? C42 C41 Li41 Li42 -134.0(2) . . . . ? C412 N42 Li42 N42 83.9(4) . . . 2_655 ? C411 N42 Li42 N42 -43.3(3) . . . 2_655 ? C410 N42 Li42 N42 -157.6(3) . . . 2_655 ? C412 N42 Li42 C41 -142.9(4) . . . . ? C411 N42 Li42 C41 89.9(4) . . . . ? C410 N42 Li42 C41 -24.4(3) . . . . ? C412 N42 Li42 C41 -24.7(8) . . . 2_655 ? C411 N42 Li42 C41 -151.8(5) . . . 2_655 ? C410 N42 Li42 C41 93.8(6) . . . 2_655 ? C412 N42 Li42 Li41 -96.1(4) . . . . ? C411 N42 Li42 Li41 136.7(3) . . . . ? C410 N42 Li42 Li41 22.4(3) . . . . ? C412 N42 Li42 C410 -118.5(5) . . . . ? C411 N42 Li42 C410 114.3(4) . . . . ? C412 N42 Li42 C410 64.4(6) . . . 2_655 ? C411 N42 Li42 C410 -62.8(4) . . . 2_655 ? C410 N42 Li42 C410 -177.1(2) . . . 2_655 ? C46 C41 Li42 N42 -1.6(3) . . . . ? C42 C41 Li42 N42 -143.6(4) . . . . ? Li41 C41 Li42 N42 132.7(2) . . . . ? C46 C41 Li42 N42 118.8(6) . . . 2_655 ? C42 C41 Li42 N42 -23.2(9) . . . 2_655 ? Li41 C41 Li42 N42 -106.9(5) . . . 2_655 ? C46 C41 Li42 C41 -134.2(3) . . . 2_655 ? C42 C41 Li42 C41 83.7(4) . . . 2_655 ? Li41 C41 Li42 C41 0.0 . . . 2_655 ? C46 C41 Li42 Li41 -134.2(3) . . . . ? C42 C41 Li42 Li41 83.7(4) . . . . ? C46 C41 Li42 C410 -16.3(2) . . . . ? C42 C41 Li42 C410 -158.4(5) . . . . ? Li41 C41 Li42 C410 117.91(18) . . . . ? C46 C41 Li42 C410 158.8(4) . . . 2_655 ? C42 C41 Li42 C410 16.7(8) . . . 2_655 ? Li41 C41 Li42 C410 -67.0(4) . . . 2_655 ? N41 Li41 Li42 N42 -122.10(15) . . . . ? N41 Li41 Li42 N42 57.90(15) 2_655 . . . ? C41 Li41 Li42 N42 -60.78(17) . . . . ? C41 Li41 Li42 N42 119.22(17) 2_655 . . . ? N41 Li41 Li42 N42 57.90(15) . . . 2_655 ? N41 Li41 Li42 N42 -122.10(15) 2_655 . . 2_655 ? C41 Li41 Li42 N42 119.22(17) . . . 2_655 ? C41 Li41 Li42 N42 -60.77(17) 2_655 . . 2_655 ? N41 Li41 Li42 C41 -61.33(16) . . . . ? N41 Li41 Li42 C41 118.67(16) 2_655 . . . ? C41 Li41 Li42 C41 180.0 2_655 . . . ? N41 Li41 Li42 C41 118.67(16) . . . 2_655 ? N41 Li41 Li42 C41 -61.33(16) 2_655 . . 2_655 ? C41 Li41 Li42 C41 180.000(1) . . . 2_655 ? N41 Li41 Li42 C410 -110.49(14) . . . . ? N41 Li41 Li42 C410 69.51(14) 2_655 . . . ? C41 Li41 Li42 C410 -49.16(16) . . . . ? C41 Li41 Li42 C410 130.84(16) 2_655 . . . ? N41 Li41 Li42 C410 69.52(14) . . . 2_655 ? N41 Li41 Li42 C410 -110.48(14) 2_655 . . 2_655 ? C41 Li41 Li42 C410 130.85(16) . . . 2_655 ? C41 Li41 Li42 C410 -49.15(16) 2_655 . . 2_655 ? C46 C410 Li42 N42 -135.8(4) . . . . ? N42 C410 Li42 N42 35.1(5) . . . 2_655 ? C46 C410 Li42 N42 -100.8(3) . . . 2_655 ? N42 C410 Li42 C41 151.2(4) . . . . ? C46 C410 Li42 C41 15.4(2) . . . . ? N42 C410 Li42 C41 -111.0(4) . . . 2_655 ? C46 C410 Li42 C41 113.2(5) . . . 2_655 ? N42 C410 Li42 Li41 -161.3(2) . . . . ? C46 C410 Li42 Li41 62.9(2) . . . . ? N42 C410 Li42 C410 18.7(2) . . . 2_655 ? C46 C410 Li42 C410 -117.1(2) . . . 2_655 ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 21.01 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.317 _refine_diff_density_min -0.223 _refine_diff_density_rms 0.058 #===END