# Supplementary Material (ESI) for Chemical Communications # This journal is (c) The Royal Society of Chemistry 2006 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # ####################################################################### data_wa257 _database_code_depnum_ccdc_archive 'CCDC 296318' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C42 H56 Fe5 Li2 N4' _chemical_formula_weight 910.04 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' Fe Fe 0.3463 0.8444 '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 'C 2/c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 21.5484(17) _cell_length_b 10.5554(10) _cell_length_c 17.5984(14) _cell_angle_alpha 90.00 _cell_angle_beta 98.862(6) _cell_angle_gamma 90.00 _cell_volume 3955.0(6) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 17951 _cell_measurement_theta_min 3.5 _cell_measurement_theta_max 25.8 _exptl_crystal_description block _exptl_crystal_colour 'dark brown' _exptl_crystal_size_max 0.19 _exptl_crystal_size_mid 0.14 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.528 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1888 _exptl_absorpt_coefficient_mu 1.826 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7230 _exptl_absorpt_correction_T_max 0.8677 _exptl_absorpt_process_details 'MULABS (Spek, 1990; Blessing, 1995)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'STOE IPDS II two-circle-diffractometer' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean ? _diffrn_standards_number 0 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0 _diffrn_reflns_number 19130 _diffrn_reflns_av_R_equivalents 0.0598 _diffrn_reflns_av_sigmaI/netI 0.0657 _diffrn_reflns_limit_h_min -26 _diffrn_reflns_limit_h_max 26 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 3.79 _diffrn_reflns_theta_max 25.70 _reflns_number_total 3575 _reflns_number_gt 2548 _reflns_threshold_expression I>2\s(I) _computing_data_collection 'X-Area (Stoe & Cie, 2001)' _computing_cell_refinement 'X-Area (Stoe & Cie, 2001)' _computing_data_reduction 'X-Area (Stoe & Cie, 2001)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1990) ' _computing_structure_refinement 'SHELXL97 (Sheldrick, 1997) ' _computing_molecular_graphics 'XP in SHELXTL-Plus (Sheldrick, 1991)' _computing_publication_material SHELXL97 _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0100P)^2^] 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 3575 _refine_ls_number_parameters 240 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0475 _refine_ls_R_factor_gt 0.0252 _refine_ls_wR_factor_ref 0.0416 _refine_ls_wR_factor_gt 0.0392 _refine_ls_goodness_of_fit_ref 0.832 _refine_ls_restrained_S_all 0.832 _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 Li1 Li 0.34527(19) 0.5733(4) 0.6399(2) 0.0195(10) Uani 1 1 d . . . Fe1 Fe 0.497124(17) 0.78369(3) 0.594423(19) 0.01378(9) Uani 1 1 d . . . Fe2 Fe 0.5000 0.32403(4) 0.7500 0.01497(12) Uani 1 2 d S . . Fe3 Fe 0.455195(17) 0.63024(3) 0.697210(19) 0.01520(9) Uani 1 1 d . . . N1 N 0.27074(9) 0.64028(18) 0.69296(11) 0.0173(5) Uani 1 1 d . . . N2 N 0.28023(10) 0.48857(17) 0.55802(11) 0.0158(5) Uani 1 1 d . . . C1 C 0.27269(13) 0.7778(2) 0.68112(17) 0.0300(6) Uani 1 1 d . . . H1A H 0.2732 0.7956 0.6266 0.045 Uiso 1 1 calc R . . H1B H 0.3107 0.8127 0.7118 0.045 Uiso 1 1 calc R . . H1C H 0.2355 0.8169 0.6971 0.045 Uiso 1 1 calc R . . C2 C 0.26969(13) 0.6159(2) 0.77519(14) 0.0260(6) Uani 1 1 d . . . H2A H 0.2684 0.5244 0.7840 0.039 Uiso 1 1 calc R . . H2B H 0.2324 0.6557 0.7906 0.039 Uiso 1 1 calc R . . H2C H 0.3076 0.6515 0.8057 0.039 Uiso 1 1 calc R . . C3 C 0.21417(12) 0.5849(3) 0.64640(14) 0.0232(6) Uani 1 1 d . . . H3A H 0.1780 0.6423 0.6476 0.028 Uiso 1 1 calc R . . H3B H 0.2044 0.5028 0.6690 0.028 Uiso 1 1 calc R . . C4 C 0.22377(12) 0.5647(3) 0.56371(15) 0.0227(6) Uani 1 1 d . . . H4A H 0.1865 0.5213 0.5354 0.027 Uiso 1 1 calc R . . H4B H 0.2276 0.6480 0.5391 0.027 Uiso 1 1 calc R . . C5 C 0.27349(13) 0.3588(2) 0.58581(15) 0.0267(6) Uani 1 1 d . . . H5A H 0.3117 0.3106 0.5818 0.040 Uiso 1 1 calc R . . H5B H 0.2374 0.3180 0.5545 0.040 Uiso 1 1 calc R . . H5C H 0.2668 0.3613 0.6396 0.040 Uiso 1 1 calc R . . C6 C 0.29152(13) 0.4869(2) 0.47776(14) 0.0242(6) Uani 1 1 d . . . H6A H 0.3291 0.4366 0.4739 0.036 Uiso 1 1 calc R . . H6B H 0.2977 0.5738 0.4607 0.036 Uiso 1 1 calc R . . H6C H 0.2552 0.4493 0.4451 0.036 Uiso 1 1 calc R . . C11 C 0.40578(11) 0.7238(2) 0.60018(13) 0.0162(5) Uani 1 1 d . . . C12 C 0.41119(11) 0.8608(2) 0.60216(13) 0.0154(5) Uani 1 1 d . . . H12 H 0.4010 0.9125 0.6427 0.019 Uiso 1 1 calc R . . C13 C 0.43360(12) 0.9077(2) 0.53577(14) 0.0167(6) Uani 1 1 d . . . H13 H 0.4413 0.9939 0.5249 0.020 Uiso 1 1 calc R . . C14 C 0.44232(12) 0.8017(2) 0.48853(14) 0.0186(6) Uani 1 1 d . . . H14 H 0.4567 0.8042 0.4401 0.022 Uiso 1 1 calc R . . C15 C 0.42554(12) 0.6912(2) 0.52732(14) 0.0174(6) Uani 1 1 d . . . H15 H 0.4271 0.6074 0.5081 0.021 Uiso 1 1 calc R . . C21 C 0.55141(12) 0.7070(2) 0.69338(14) 0.0170(6) Uani 1 1 d . . . C22 C 0.55848(11) 0.8432(2) 0.68786(14) 0.0175(6) Uani 1 1 d . . . H22 H 0.5491 0.9023 0.7252 0.021 Uiso 1 1 calc R . . C23 C 0.58126(12) 0.8758(3) 0.61913(14) 0.0205(6) Uani 1 1 d . . . H23 H 0.5902 0.9590 0.6033 0.025 Uiso 1 1 calc R . . C24 C 0.58839(12) 0.7625(2) 0.57821(14) 0.0205(6) Uani 1 1 d . . . H24 H 0.6026 0.7557 0.5299 0.025 Uiso 1 1 calc R . . C25 C 0.57024(12) 0.6598(2) 0.62341(14) 0.0205(6) Uani 1 1 d . . . H25 H 0.5706 0.5729 0.6093 0.025 Uiso 1 1 calc R . . C31 C 0.42866(12) 0.4416(2) 0.69204(14) 0.0180(6) Uani 1 1 d . . . C32 C 0.40713(12) 0.3638(2) 0.75058(15) 0.0188(6) Uani 1 1 d . . . H32 H 0.3897 0.3955 0.7932 0.023 Uiso 1 1 calc R . . C33 C 0.41574(13) 0.2327(2) 0.73513(15) 0.0224(6) Uani 1 1 d . . . H33 H 0.4051 0.1635 0.7652 0.027 Uiso 1 1 calc R . . C34 C 0.44283(12) 0.2242(2) 0.66713(15) 0.0207(6) Uani 1 1 d . . . H34 H 0.4536 0.1484 0.6430 0.025 Uiso 1 1 calc R . . C35 C 0.45110(12) 0.3503(2) 0.64128(14) 0.0181(6) Uani 1 1 d . . . H35 H 0.4689 0.3714 0.5968 0.022 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Li1 0.015(2) 0.023(2) 0.019(2) -0.0004(16) -0.0025(19) -0.0052(16) Fe1 0.01055(18) 0.01816(17) 0.01216(17) 0.00141(14) 0.00029(14) -0.00095(14) Fe2 0.0131(3) 0.0155(3) 0.0163(3) 0.000 0.0022(2) 0.000 Fe3 0.01388(19) 0.01762(17) 0.01330(17) 0.00034(14) -0.00040(15) -0.00170(14) N1 0.0156(11) 0.0174(10) 0.0183(10) -0.0001(8) 0.0013(9) -0.0032(8) N2 0.0137(11) 0.0193(10) 0.0149(10) -0.0013(8) 0.0035(9) -0.0009(8) C1 0.0266(15) 0.0205(13) 0.0443(16) 0.0039(12) 0.0099(13) 0.0024(12) C2 0.0299(16) 0.0274(14) 0.0198(13) -0.0017(11) 0.0017(12) -0.0025(12) C3 0.0104(14) 0.0343(15) 0.0242(14) -0.0051(11) 0.0001(12) -0.0020(10) C4 0.0126(14) 0.0372(16) 0.0178(13) -0.0038(11) 0.0007(12) 0.0030(11) C5 0.0321(16) 0.0220(14) 0.0254(14) -0.0025(11) 0.0022(12) -0.0078(12) C6 0.0220(15) 0.0310(15) 0.0201(13) -0.0043(11) 0.0052(13) -0.0003(11) C11 0.0094(12) 0.0216(12) 0.0167(12) -0.0001(10) -0.0004(10) -0.0013(10) C12 0.0113(12) 0.0206(12) 0.0141(12) 0.0009(9) 0.0010(10) 0.0027(10) C13 0.0127(13) 0.0199(13) 0.0164(12) 0.0039(9) -0.0015(11) -0.0019(9) C14 0.0148(14) 0.0280(14) 0.0124(12) 0.0037(10) 0.0004(11) -0.0026(10) C15 0.0156(13) 0.0199(12) 0.0158(12) -0.0021(9) -0.0008(11) -0.0013(10) C21 0.0106(12) 0.0204(13) 0.0187(12) 0.0047(10) -0.0015(11) 0.0008(10) C22 0.0126(13) 0.0226(14) 0.0162(12) 0.0009(10) -0.0013(11) -0.0029(10) C23 0.0148(13) 0.0269(13) 0.0186(12) 0.0075(11) -0.0010(11) -0.0053(11) C24 0.0105(14) 0.0353(15) 0.0162(12) 0.0057(11) 0.0041(11) 0.0043(10) C25 0.0120(13) 0.0257(14) 0.0231(13) -0.0005(10) 0.0009(12) 0.0029(10) C31 0.0163(14) 0.0217(13) 0.0149(12) -0.0015(10) -0.0012(11) 0.0004(10) C32 0.0138(13) 0.0239(13) 0.0189(12) -0.0023(11) 0.0032(11) 0.0024(11) C33 0.0164(14) 0.0206(13) 0.0297(15) 0.0048(11) 0.0017(12) -0.0036(10) C34 0.0190(14) 0.0162(12) 0.0264(13) -0.0049(11) 0.0020(12) -0.0008(11) C35 0.0170(14) 0.0209(13) 0.0160(12) -0.0014(10) 0.0018(11) -0.0013(10) _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 Li1 N2 2.054(4) . ? Li1 N1 2.100(5) . ? Li1 C11 2.235(5) . ? Li1 C31 2.344(4) . ? Li1 Fe3 2.501(4) . ? Li1 C4 2.753(4) . ? Fe1 C15 2.041(2) . ? Fe1 C24 2.043(3) . ? Fe1 C22 2.044(2) . ? Fe1 C23 2.044(2) . ? Fe1 C12 2.046(3) . ? Fe1 C25 2.051(2) . ? Fe1 C13 2.053(2) . ? Fe1 C14 2.056(2) . ? Fe1 C11 2.085(3) . ? Fe1 C21 2.104(2) . ? Fe1 Fe3 2.6862(5) . ? Fe2 C33 2.037(3) . ? Fe2 C33 2.037(3) 2_656 ? Fe2 C32 2.046(3) 2_656 ? Fe2 C32 2.046(3) . ? Fe2 C34 2.050(2) . ? Fe2 C34 2.050(2) 2_656 ? Fe2 C35 2.056(2) 2_656 ? Fe2 C35 2.056(2) . ? Fe2 C31 2.112(2) 2_656 ? Fe2 C31 2.112(2) . ? Fe3 C31 2.070(2) . ? Fe3 C11 2.113(2) . ? Fe3 C21 2.114(3) 2_656 ? Fe3 C21 2.237(3) . ? Fe3 Fe3 2.4648(6) 2_656 ? N1 C1 1.468(3) . ? N1 C2 1.473(3) . ? N1 C3 1.480(3) . ? N2 C5 1.469(3) . ? N2 C6 1.470(3) . ? N2 C4 1.474(3) . ? C1 H1A 0.9800 . ? C1 H1B 0.9800 . ? C1 H1C 0.9800 . ? C2 H2A 0.9800 . ? C2 H2B 0.9800 . ? C2 H2C 0.9800 . ? C3 C4 1.516(4) . ? C3 H3A 0.9900 . ? C3 H3B 0.9900 . ? C4 H4A 0.9900 . ? C4 H4B 0.9900 . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C11 C12 1.450(3) . ? C11 C15 1.453(4) . ? C12 C13 1.420(4) . ? C12 H12 0.9500 . ? C13 C14 1.423(4) . ? C13 H13 0.9500 . ? C14 C15 1.426(3) . ? C14 H14 0.9500 . ? C15 H15 0.9500 . ? C21 C25 1.443(4) . ? C21 C22 1.450(3) . ? C21 Fe3 2.114(3) 2_656 ? C22 C23 1.416(4) . ? C22 H22 0.9500 . ? C23 C24 1.417(4) . ? C23 H23 0.9500 . ? C24 C25 1.434(4) . ? C24 H24 0.9500 . ? C25 H25 0.9500 . ? C31 C35 1.447(4) . ? C31 C32 1.449(4) . ? C32 C33 1.428(4) . ? C32 H32 0.9500 . ? C33 C34 1.413(4) . ? C33 H33 0.9500 . ? C34 C35 1.427(3) . ? C34 H34 0.9500 . ? C35 H35 0.9500 . ? 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 N2 Li1 N1 88.43(18) . . ? N2 Li1 C11 117.2(2) . . ? N1 Li1 C11 115.0(2) . . ? N2 Li1 C31 114.6(2) . . ? N1 Li1 C31 128.2(2) . . ? C11 Li1 C31 95.44(18) . . ? N2 Li1 Fe3 152.8(2) . . ? N1 Li1 Fe3 118.80(18) . . ? C11 Li1 Fe3 52.64(10) . . ? C31 Li1 Fe3 50.45(10) . . ? N2 Li1 C4 31.67(10) . . ? N1 Li1 C4 59.52(12) . . ? C11 Li1 C4 115.33(17) . . ? C31 Li1 C4 141.74(18) . . ? Fe3 Li1 C4 167.16(18) . . ? C15 Fe1 C24 121.65(11) . . ? C15 Fe1 C22 161.83(10) . . ? C24 Fe1 C22 68.20(11) . . ? C15 Fe1 C23 156.50(11) . . ? C24 Fe1 C23 40.58(10) . . ? C22 Fe1 C23 40.54(10) . . ? C15 Fe1 C12 67.52(10) . . ? C24 Fe1 C12 162.48(10) . . ? C22 Fe1 C12 107.71(10) . . ? C23 Fe1 C12 125.37(10) . . ? C15 Fe1 C25 108.78(10) . . ? C24 Fe1 C25 41.01(10) . . ? C22 Fe1 C25 67.60(10) . . ? C23 Fe1 C25 68.18(10) . . ? C12 Fe1 C25 154.88(11) . . ? C15 Fe1 C13 68.17(9) . . ? C24 Fe1 C13 125.55(10) . . ? C22 Fe1 C13 120.47(9) . . ? C23 Fe1 C13 107.73(10) . . ? C12 Fe1 C13 40.54(10) . . ? C25 Fe1 C13 163.46(11) . . ? C15 Fe1 C14 40.74(10) . . ? C24 Fe1 C14 108.33(11) . . ? C22 Fe1 C14 155.66(10) . . ? C23 Fe1 C14 121.04(10) . . ? C12 Fe1 C14 67.92(10) . . ? C25 Fe1 C14 126.62(10) . . ? C13 Fe1 C14 40.53(10) . . ? C15 Fe1 C11 41.23(10) . . ? C24 Fe1 C11 155.52(10) . . ? C22 Fe1 C11 123.55(11) . . ? C23 Fe1 C11 161.27(10) . . ? C12 Fe1 C11 41.10(9) . . ? C25 Fe1 C11 119.30(10) . . ? C13 Fe1 C11 69.91(10) . . ? C14 Fe1 C11 69.96(10) . . ? C15 Fe1 C21 124.68(9) . . ? C24 Fe1 C21 69.45(10) . . ? C22 Fe1 C21 40.90(9) . . ? C23 Fe1 C21 69.22(10) . . ? C12 Fe1 C21 119.42(11) . . ? C25 Fe1 C21 40.63(10) . . ? C13 Fe1 C21 154.64(10) . . ? C14 Fe1 C21 162.61(9) . . ? C11 Fe1 C21 104.58(10) . . ? C15 Fe1 Fe3 78.38(7) . . ? C24 Fe1 Fe3 117.31(7) . . ? C22 Fe1 Fe3 83.48(7) . . ? C23 Fe1 Fe3 121.53(7) . . ? C12 Fe1 Fe3 78.06(7) . . ? C25 Fe1 Fe3 76.88(8) . . ? C13 Fe1 Fe3 117.10(8) . . ? C14 Fe1 Fe3 117.42(8) . . ? C11 Fe1 Fe3 50.68(6) . . ? C21 Fe1 Fe3 54.03(7) . . ? C33 Fe2 C33 123.49(15) . 2_656 ? C33 Fe2 C32 161.72(11) . 2_656 ? C33 Fe2 C32 40.94(10) 2_656 2_656 ? C33 Fe2 C32 40.94(10) . . ? C33 Fe2 C32 161.72(11) 2_656 . ? C32 Fe2 C32 156.34(14) 2_656 . ? C33 Fe2 C34 40.45(12) . . ? C33 Fe2 C34 105.92(10) 2_656 . ? C32 Fe2 C34 125.66(11) 2_656 . ? C32 Fe2 C34 68.15(10) . . ? C33 Fe2 C34 105.92(10) . 2_656 ? C33 Fe2 C34 40.45(12) 2_656 2_656 ? C32 Fe2 C34 68.15(10) 2_656 2_656 ? C32 Fe2 C34 125.66(11) . 2_656 ? C34 Fe2 C34 118.13(14) . 2_656 ? C33 Fe2 C35 120.16(11) . 2_656 ? C33 Fe2 C35 67.99(11) 2_656 2_656 ? C32 Fe2 C35 67.39(11) 2_656 2_656 ? C32 Fe2 C35 109.22(11) . 2_656 ? C34 Fe2 C35 153.78(11) . 2_656 ? C34 Fe2 C35 40.66(9) 2_656 2_656 ? C33 Fe2 C35 67.99(11) . . ? C33 Fe2 C35 120.16(11) 2_656 . ? C32 Fe2 C35 109.22(11) 2_656 . ? C32 Fe2 C35 67.39(11) . . ? C34 Fe2 C35 40.66(9) . . ? C34 Fe2 C35 153.78(11) 2_656 . ? C35 Fe2 C35 164.51(13) 2_656 . ? C33 Fe2 C31 155.28(11) . 2_656 ? C33 Fe2 C31 69.39(10) 2_656 2_656 ? C32 Fe2 C31 40.74(10) 2_656 2_656 ? C32 Fe2 C31 121.12(10) . 2_656 ? C34 Fe2 C31 163.47(11) . 2_656 ? C34 Fe2 C31 69.24(9) 2_656 2_656 ? C35 Fe2 C31 40.61(10) 2_656 2_656 ? C35 Fe2 C31 126.93(10) . 2_656 ? C33 Fe2 C31 69.39(10) . . ? C33 Fe2 C31 155.28(11) 2_656 . ? C32 Fe2 C31 121.12(10) 2_656 . ? C32 Fe2 C31 40.74(10) . . ? C34 Fe2 C31 69.24(9) . . ? C34 Fe2 C31 163.47(11) 2_656 . ? C35 Fe2 C31 126.93(10) 2_656 . ? C35 Fe2 C31 40.61(10) . . ? C31 Fe2 C31 108.02(13) 2_656 . ? C31 Fe3 C11 108.22(9) . . ? C31 Fe3 C21 110.60(10) . 2_656 ? C11 Fe3 C21 117.43(10) . 2_656 ? C31 Fe3 C21 126.75(10) . . ? C11 Fe3 C21 99.23(9) . . ? C21 Fe3 C21 94.66(12) 2_656 . ? C31 Fe3 Fe3 102.25(6) . 2_656 ? C11 Fe3 Fe3 147.99(7) . 2_656 ? C21 Fe3 Fe3 57.88(7) 2_656 2_656 ? C21 Fe3 Fe3 53.17(6) . 2_656 ? C31 Fe3 Li1 60.85(11) . . ? C11 Fe3 Li1 57.21(12) . . ? C21 Fe3 Li1 105.47(13) 2_656 . ? C21 Fe3 Li1 154.15(12) . . ? Fe3 Fe3 Li1 152.53(10) 2_656 . ? C31 Fe3 Fe1 132.05(8) . . ? C11 Fe3 Fe1 49.75(7) . . ? C21 Fe3 Fe1 117.32(7) 2_656 . ? C21 Fe3 Fe1 49.59(6) . . ? Fe3 Fe3 Fe1 101.65(2) 2_656 . ? Li1 Fe3 Fe1 105.64(10) . . ? C1 N1 C2 108.5(2) . . ? C1 N1 C3 110.54(19) . . ? C2 N1 C3 109.8(2) . . ? C1 N1 Li1 103.3(2) . . ? C2 N1 Li1 120.40(19) . . ? C3 N1 Li1 104.01(18) . . ? C5 N2 C6 110.39(19) . . ? C5 N2 C4 111.1(2) . . ? C6 N2 C4 109.40(19) . . ? C5 N2 Li1 105.30(17) . . ? C6 N2 Li1 118.9(2) . . ? C4 N2 Li1 101.32(19) . . ? N1 C1 H1A 109.5 . . ? N1 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? N1 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? N1 C2 H2A 109.5 . . ? N1 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? N1 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? N1 C3 C4 111.4(2) . . ? N1 C3 H3A 109.4 . . ? C4 C3 H3A 109.4 . . ? N1 C3 H3B 109.4 . . ? C4 C3 H3B 109.4 . . ? H3A C3 H3B 108.0 . . ? N2 C4 C3 112.2(2) . . ? N2 C4 Li1 47.02(13) . . ? C3 C4 Li1 77.74(16) . . ? N2 C4 H4A 109.2 . . ? C3 C4 H4A 109.2 . . ? Li1 C4 H4A 153.8 . . ? N2 C4 H4B 109.2 . . ? C3 C4 H4B 109.2 . . ? Li1 C4 H4B 92.7 . . ? H4A C4 H4B 107.9 . . ? N2 C5 H5A 109.5 . . ? N2 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? N2 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? N2 C6 H6A 109.5 . . ? N2 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? N2 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C12 C11 C15 102.9(2) . . ? C12 C11 Fe1 68.03(14) . . ? C15 C11 Fe1 67.76(14) . . ? C12 C11 Fe3 114.70(15) . . ? C15 C11 Fe3 115.00(17) . . ? Fe1 C11 Fe3 79.57(8) . . ? C12 C11 Li1 138.6(2) . . ? C15 C11 Li1 111.9(2) . . ? Fe1 C11 Li1 146.26(16) . . ? Fe3 C11 Li1 70.15(12) . . ? C13 C12 C11 111.4(2) . . ? C13 C12 Fe1 70.00(14) . . ? C11 C12 Fe1 70.88(14) . . ? C13 C12 H12 124.3 . . ? C11 C12 H12 124.3 . . ? Fe1 C12 H12 126.4 . . ? C12 C13 C14 107.4(2) . . ? C12 C13 Fe1 69.46(13) . . ? C14 C13 Fe1 69.82(13) . . ? C12 C13 H13 126.3 . . ? C14 C13 H13 126.3 . . ? Fe1 C13 H13 126.0 . . ? C13 C14 C15 107.3(2) . . ? C13 C14 Fe1 69.65(12) . . ? C15 C14 Fe1 69.07(12) . . ? C13 C14 H14 126.4 . . ? C15 C14 H14 126.4 . . ? Fe1 C14 H14 126.5 . . ? C14 C15 C11 111.1(2) . . ? C14 C15 Fe1 70.18(13) . . ? C11 C15 Fe1 71.00(13) . . ? C14 C15 H15 124.5 . . ? C11 C15 H15 124.5 . . ? Fe1 C15 H15 125.9 . . ? C25 C21 C22 103.8(2) . . ? C25 C21 Fe1 67.69(13) . . ? C22 C21 Fe1 67.30(12) . . ? C25 C21 Fe3 135.38(18) . 2_656 ? C22 C21 Fe3 117.62(18) . 2_656 ? Fe1 C21 Fe3 142.59(14) . 2_656 ? C25 C21 Fe3 106.51(16) . . ? C22 C21 Fe3 117.93(18) . . ? Fe1 C21 Fe3 76.38(7) . . ? Fe3 C21 Fe3 68.95(8) 2_656 . ? C23 C22 C21 110.6(2) . . ? C23 C22 Fe1 69.75(13) . . ? C21 C22 Fe1 71.81(13) . . ? C23 C22 H22 124.7 . . ? C21 C22 H22 124.7 . . ? Fe1 C22 H22 125.3 . . ? C22 C23 C24 107.9(2) . . ? C22 C23 Fe1 69.71(14) . . ? C24 C23 Fe1 69.65(15) . . ? C22 C23 H23 126.0 . . ? C24 C23 H23 126.0 . . ? Fe1 C23 H23 126.2 . . ? C23 C24 C25 107.2(2) . . ? C23 C24 Fe1 69.77(16) . . ? C25 C24 Fe1 69.80(15) . . ? C23 C24 H24 126.4 . . ? C25 C24 H24 126.4 . . ? Fe1 C24 H24 125.6 . . ? C24 C25 C21 110.4(2) . . ? C24 C25 Fe1 69.19(14) . . ? C21 C25 Fe1 71.69(14) . . ? C24 C25 H25 124.8 . . ? C21 C25 H25 124.8 . . ? Fe1 C25 H25 125.9 . . ? C35 C31 C32 103.6(2) . . ? C35 C31 Fe3 123.5(2) . . ? C32 C31 Fe3 129.12(18) . . ? C35 C31 Fe2 67.61(13) . . ? C32 C31 Fe2 67.19(13) . . ? Fe3 C31 Fe2 111.62(10) . . ? C35 C31 Li1 117.54(18) . . ? C32 C31 Li1 107.7(2) . . ? Fe3 C31 Li1 68.70(12) . . ? Fe2 C31 Li1 173.97(18) . . ? C33 C32 C31 110.4(2) . . ? C33 C32 Fe2 69.18(15) . . ? C31 C32 Fe2 72.07(15) . . ? C33 C32 H32 124.8 . . ? C31 C32 H32 124.8 . . ? Fe2 C32 H32 125.5 . . ? C34 C33 C32 107.8(2) . . ? C34 C33 Fe2 70.27(15) . . ? C32 C33 Fe2 69.89(14) . . ? C34 C33 H33 126.1 . . ? C32 C33 H33 126.1 . . ? Fe2 C33 H33 125.3 . . ? C33 C34 C35 107.4(2) . . ? C33 C34 Fe2 69.28(14) . . ? C35 C34 Fe2 69.90(13) . . ? C33 C34 H34 126.3 . . ? C35 C34 H34 126.3 . . ? Fe2 C34 H34 126.1 . . ? C34 C35 C31 110.8(2) . . ? C34 C35 Fe2 69.44(13) . . ? C31 C35 Fe2 71.78(13) . . ? C34 C35 H35 124.6 . . ? C31 C35 H35 124.6 . . ? Fe2 C35 H35 125.8 . . ? 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 N2 Li1 Fe3 C31 -64.8(4) . . . . ? N1 Li1 Fe3 C31 117.5(2) . . . . ? C11 Li1 Fe3 C31 -141.74(17) . . . . ? C4 Li1 Fe3 C31 -163.6(10) . . . . ? N2 Li1 Fe3 C11 77.0(4) . . . . ? N1 Li1 Fe3 C11 -100.8(2) . . . . ? C31 Li1 Fe3 C11 141.74(17) . . . . ? C4 Li1 Fe3 C11 -21.9(9) . . . . ? N2 Li1 Fe3 C21 -170.1(4) . . . 2_656 ? N1 Li1 Fe3 C21 12.2(2) . . . 2_656 ? C11 Li1 Fe3 C21 112.97(13) . . . 2_656 ? C31 Li1 Fe3 C21 -105.29(13) . . . 2_656 ? C4 Li1 Fe3 C21 91.1(9) . . . 2_656 ? N2 Li1 Fe3 C21 50.1(6) . . . . ? N1 Li1 Fe3 C21 -127.7(2) . . . . ? C11 Li1 Fe3 C21 -26.9(3) . . . . ? C31 Li1 Fe3 C21 114.8(2) . . . . ? C4 Li1 Fe3 C21 -48.8(11) . . . . ? N2 Li1 Fe3 Fe3 -121.6(4) . . . 2_656 ? N1 Li1 Fe3 Fe3 60.6(3) . . . 2_656 ? C11 Li1 Fe3 Fe3 161.38(16) . . . 2_656 ? C31 Li1 Fe3 Fe3 -56.9(2) . . . 2_656 ? C4 Li1 Fe3 Fe3 139.5(8) . . . 2_656 ? N2 Li1 Fe3 Fe1 65.1(4) . . . . ? N1 Li1 Fe3 Fe1 -112.71(18) . . . . ? C11 Li1 Fe3 Fe1 -11.92(13) . . . . ? C31 Li1 Fe3 Fe1 129.81(10) . . . . ? C4 Li1 Fe3 Fe1 -33.8(9) . . . . ? C15 Fe1 Fe3 C31 43.25(12) . . . . ? C24 Fe1 Fe3 C31 -76.53(12) . . . . ? C22 Fe1 Fe3 C31 -137.87(12) . . . . ? C23 Fe1 Fe3 C31 -123.21(13) . . . . ? C12 Fe1 Fe3 C31 112.43(11) . . . . ? C25 Fe1 Fe3 C31 -69.42(11) . . . . ? C13 Fe1 Fe3 C31 101.14(12) . . . . ? C14 Fe1 Fe3 C31 55.27(13) . . . . ? C11 Fe1 Fe3 C31 77.76(13) . . . . ? C21 Fe1 Fe3 C31 -106.88(12) . . . . ? C15 Fe1 Fe3 C11 -34.51(11) . . . . ? C24 Fe1 Fe3 C11 -154.30(12) . . . . ? C22 Fe1 Fe3 C11 144.36(12) . . . . ? C23 Fe1 Fe3 C11 159.02(13) . . . . ? C12 Fe1 Fe3 C11 34.66(11) . . . . ? C25 Fe1 Fe3 C11 -147.18(11) . . . . ? C13 Fe1 Fe3 C11 23.37(11) . . . . ? C14 Fe1 Fe3 C11 -22.49(13) . . . . ? C21 Fe1 Fe3 C11 175.36(13) . . . . ? C15 Fe1 Fe3 C21 -138.51(10) . . . 2_656 ? C24 Fe1 Fe3 C21 101.70(11) . . . 2_656 ? C22 Fe1 Fe3 C21 40.36(10) . . . 2_656 ? C23 Fe1 Fe3 C21 55.02(12) . . . 2_656 ? C12 Fe1 Fe3 C21 -69.34(10) . . . 2_656 ? C25 Fe1 Fe3 C21 108.82(10) . . . 2_656 ? C13 Fe1 Fe3 C21 -80.63(10) . . . 2_656 ? C14 Fe1 Fe3 C21 -126.49(11) . . . 2_656 ? C11 Fe1 Fe3 C21 -104.00(12) . . . 2_656 ? C21 Fe1 Fe3 C21 71.36(11) . . . 2_656 ? C15 Fe1 Fe3 C21 150.13(11) . . . . ? C24 Fe1 Fe3 C21 30.34(12) . . . . ? C22 Fe1 Fe3 C21 -31.00(11) . . . . ? C23 Fe1 Fe3 C21 -16.34(13) . . . . ? C12 Fe1 Fe3 C21 -140.70(11) . . . . ? C25 Fe1 Fe3 C21 37.46(11) . . . . ? C13 Fe1 Fe3 C21 -151.99(11) . . . . ? C14 Fe1 Fe3 C21 162.15(12) . . . . ? C11 Fe1 Fe3 C21 -175.36(13) . . . . ? C15 Fe1 Fe3 Fe3 161.79(8) . . . 2_656 ? C24 Fe1 Fe3 Fe3 42.00(8) . . . 2_656 ? C22 Fe1 Fe3 Fe3 -19.34(8) . . . 2_656 ? C23 Fe1 Fe3 Fe3 -4.68(10) . . . 2_656 ? C12 Fe1 Fe3 Fe3 -129.04(7) . . . 2_656 ? C25 Fe1 Fe3 Fe3 49.12(7) . . . 2_656 ? C13 Fe1 Fe3 Fe3 -140.33(7) . . . 2_656 ? C14 Fe1 Fe3 Fe3 173.81(9) . . . 2_656 ? C11 Fe1 Fe3 Fe3 -163.70(9) . . . 2_656 ? C21 Fe1 Fe3 Fe3 11.66(9) . . . 2_656 ? C15 Fe1 Fe3 Li1 -21.36(13) . . . . ? C24 Fe1 Fe3 Li1 -141.15(13) . . . . ? C22 Fe1 Fe3 Li1 157.52(13) . . . . ? C23 Fe1 Fe3 Li1 172.18(14) . . . . ? C12 Fe1 Fe3 Li1 47.82(12) . . . . ? C25 Fe1 Fe3 Li1 -134.03(12) . . . . ? C13 Fe1 Fe3 Li1 36.53(13) . . . . ? C14 Fe1 Fe3 Li1 -9.34(13) . . . . ? C11 Fe1 Fe3 Li1 13.15(14) . . . . ? C21 Fe1 Fe3 Li1 -171.49(13) . . . . ? N2 Li1 N1 C1 -112.25(18) . . . . ? C11 Li1 N1 C1 7.2(2) . . . . ? C31 Li1 N1 C1 127.3(2) . . . . ? Fe3 Li1 N1 C1 66.7(2) . . . . ? C4 Li1 N1 C1 -98.62(16) . . . . ? N2 Li1 N1 C2 126.70(19) . . . . ? C11 Li1 N1 C2 -113.8(2) . . . . ? C31 Li1 N1 C2 6.2(3) . . . . ? Fe3 Li1 N1 C2 -54.3(3) . . . . ? C4 Li1 N1 C2 140.3(2) . . . . ? N2 Li1 N1 C3 3.2(2) . . . . ? C11 Li1 N1 C3 122.7(2) . . . . ? C31 Li1 N1 C3 -117.3(2) . . . . ? Fe3 Li1 N1 C3 -177.79(18) . . . . ? C4 Li1 N1 C3 16.86(15) . . . . ? N1 Li1 N2 C5 -93.1(2) . . . . ? C11 Li1 N2 C5 149.4(2) . . . . ? C31 Li1 N2 C5 38.8(3) . . . . ? Fe3 Li1 N2 C5 88.9(5) . . . . ? C4 Li1 N2 C5 -115.8(3) . . . . ? N1 Li1 N2 C6 142.60(19) . . . . ? C11 Li1 N2 C6 25.1(3) . . . . ? C31 Li1 N2 C6 -85.5(3) . . . . ? Fe3 Li1 N2 C6 -35.4(5) . . . . ? C4 Li1 N2 C6 119.8(3) . . . . ? N1 Li1 N2 C4 22.8(2) . . . . ? C11 Li1 N2 C4 -94.7(3) . . . . ? C31 Li1 N2 C4 154.7(2) . . . . ? Fe3 Li1 N2 C4 -155.3(4) . . . . ? C1 N1 C3 C4 81.1(3) . . . . ? C2 N1 C3 C4 -159.3(2) . . . . ? Li1 N1 C3 C4 -29.2(3) . . . . ? C5 N2 C4 C3 65.4(3) . . . . ? C6 N2 C4 C3 -172.4(2) . . . . ? Li1 N2 C4 C3 -46.0(3) . . . . ? C5 N2 C4 Li1 111.5(2) . . . . ? C6 N2 C4 Li1 -126.4(2) . . . . ? N1 C3 C4 N2 54.3(3) . . . . ? N1 C3 C4 Li1 21.67(19) . . . . ? N1 Li1 C4 N2 -153.3(2) . . . . ? C11 Li1 C4 N2 101.4(3) . . . . ? C31 Li1 C4 N2 -39.0(3) . . . . ? Fe3 Li1 C4 N2 120.5(10) . . . . ? N2 Li1 C4 C3 137.0(3) . . . . ? N1 Li1 C4 C3 -16.33(15) . . . . ? C11 Li1 C4 C3 -121.6(2) . . . . ? C31 Li1 C4 C3 98.0(4) . . . . ? Fe3 Li1 C4 C3 -102.5(9) . . . . ? C15 Fe1 C11 C12 -115.18(19) . . . . ? C24 Fe1 C11 C12 -169.4(2) . . . . ? C22 Fe1 C11 C12 78.17(16) . . . . ? C23 Fe1 C11 C12 50.3(3) . . . . ? C25 Fe1 C11 C12 159.41(14) . . . . ? C13 Fe1 C11 C12 -35.74(14) . . . . ? C14 Fe1 C11 C12 -79.02(15) . . . . ? C21 Fe1 C11 C12 118.29(14) . . . . ? Fe3 Fe1 C11 C12 122.17(15) . . . . ? C24 Fe1 C11 C15 -54.2(3) . . . . ? C22 Fe1 C11 C15 -166.65(13) . . . . ? C23 Fe1 C11 C15 165.5(3) . . . . ? C12 Fe1 C11 C15 115.18(19) . . . . ? C25 Fe1 C11 C15 -85.41(16) . . . . ? C13 Fe1 C11 C15 79.44(14) . . . . ? C14 Fe1 C11 C15 36.16(13) . . . . ? C21 Fe1 C11 C15 -126.53(14) . . . . ? Fe3 Fe1 C11 C15 -122.65(15) . . . . ? C15 Fe1 C11 Fe3 122.65(15) . . . . ? C24 Fe1 C11 Fe3 68.4(2) . . . . ? C22 Fe1 C11 Fe3 -44.00(13) . . . . ? C23 Fe1 C11 Fe3 -71.9(3) . . . . ? C12 Fe1 C11 Fe3 -122.17(15) . . . . ? C25 Fe1 C11 Fe3 37.25(12) . . . . ? C13 Fe1 C11 Fe3 -157.91(11) . . . . ? C14 Fe1 C11 Fe3 158.81(11) . . . . ? C21 Fe1 C11 Fe3 -3.88(11) . . . . ? C15 Fe1 C11 Li1 96.5(3) . . . . ? C24 Fe1 C11 Li1 42.2(4) . . . . ? C22 Fe1 C11 Li1 -70.2(3) . . . . ? C23 Fe1 C11 Li1 -98.1(4) . . . . ? C12 Fe1 C11 Li1 -148.4(4) . . . . ? C25 Fe1 C11 Li1 11.0(3) . . . . ? C13 Fe1 C11 Li1 175.9(3) . . . . ? C14 Fe1 C11 Li1 132.6(3) . . . . ? C21 Fe1 C11 Li1 -30.1(3) . . . . ? Fe3 Fe1 C11 Li1 -26.2(3) . . . . ? C31 Fe3 C11 C12 170.04(19) . . . . ? C21 Fe3 C11 C12 44.0(2) 2_656 . . . ? C21 Fe3 C11 C12 -56.2(2) . . . . ? Fe3 Fe3 C11 C12 -28.5(3) 2_656 . . . ? Li1 Fe3 C11 C12 135.3(3) . . . . ? Fe1 Fe3 C11 C12 -59.77(17) . . . . ? C31 Fe3 C11 C15 -70.9(2) . . . . ? C21 Fe3 C11 C15 163.09(17) 2_656 . . . ? C21 Fe3 C11 C15 62.89(19) . . . . ? Fe3 Fe3 C11 C15 90.5(2) 2_656 . . . ? Li1 Fe3 C11 C15 -105.6(2) . . . . ? Fe1 Fe3 C11 C15 59.31(16) . . . . ? C31 Fe3 C11 Fe1 -130.19(10) . . . . ? C21 Fe3 C11 Fe1 103.78(10) 2_656 . . . ? C21 Fe3 C11 Fe1 3.58(10) . . . . ? Fe3 Fe3 C11 Fe1 31.24(17) 2_656 . . . ? Li1 Fe3 C11 Fe1 -164.89(16) . . . . ? C31 Fe3 C11 Li1 34.70(16) . . . . ? C21 Fe3 C11 Li1 -91.33(16) 2_656 . . . ? C21 Fe3 C11 Li1 168.47(14) . . . . ? Fe3 Fe3 C11 Li1 -163.87(15) 2_656 . . . ? Fe1 Fe3 C11 Li1 164.89(16) . . . . ? N2 Li1 C11 C12 104.9(3) . . . . ? N1 Li1 C11 C12 3.0(4) . . . . ? C31 Li1 C11 C12 -133.9(2) . . . . ? Fe3 Li1 C11 C12 -105.2(3) . . . . ? C4 Li1 C11 C12 69.5(3) . . . . ? N2 Li1 C11 C15 -40.1(3) . . . . ? N1 Li1 C11 C15 -141.95(19) . . . . ? C31 Li1 C11 C15 81.2(2) . . . . ? Fe3 Li1 C11 C15 109.84(18) . . . . ? C4 Li1 C11 C15 -75.4(2) . . . . ? N2 Li1 C11 Fe1 -122.4(2) . . . . ? N1 Li1 C11 Fe1 135.7(2) . . . . ? C31 Li1 C11 Fe1 -1.2(4) . . . . ? Fe3 Li1 C11 Fe1 27.5(3) . . . . ? C4 Li1 C11 Fe1 -157.8(2) . . . . ? N2 Li1 C11 Fe3 -149.9(2) . . . . ? N1 Li1 C11 Fe3 108.22(18) . . . . ? C31 Li1 C11 Fe3 -28.66(11) . . . . ? C4 Li1 C11 Fe3 174.7(2) . . . . ? C15 C11 C12 C13 -0.9(2) . . . . ? Fe1 C11 C12 C13 58.39(16) . . . . ? Fe3 C11 C12 C13 124.78(18) . . . . ? Li1 C11 C12 C13 -147.7(2) . . . . ? C15 C11 C12 Fe1 -59.25(15) . . . . ? Fe3 C11 C12 Fe1 66.39(14) . . . . ? Li1 C11 C12 Fe1 153.9(3) . . . . ? C15 Fe1 C12 C13 -82.22(14) . . . . ? C24 Fe1 C12 C13 42.9(4) . . . . ? C22 Fe1 C12 C13 116.46(14) . . . . ? C23 Fe1 C12 C13 75.20(16) . . . . ? C25 Fe1 C12 C13 -168.7(2) . . . . ? C14 Fe1 C12 C13 -38.03(13) . . . . ? C11 Fe1 C12 C13 -122.43(19) . . . . ? C21 Fe1 C12 C13 159.50(13) . . . . ? Fe3 Fe1 C12 C13 -164.45(13) . . . . ? C15 Fe1 C12 C11 40.21(14) . . . . ? C24 Fe1 C12 C11 165.3(3) . . . . ? C22 Fe1 C12 C11 -121.10(14) . . . . ? C23 Fe1 C12 C11 -162.37(13) . . . . ? C25 Fe1 C12 C11 -46.3(3) . . . . ? C13 Fe1 C12 C11 122.43(19) . . . . ? C14 Fe1 C12 C11 84.40(15) . . . . ? C21 Fe1 C12 C11 -78.06(16) . . . . ? Fe3 Fe1 C12 C11 -42.01(12) . . . . ? C11 C12 C13 C14 0.9(3) . . . . ? Fe1 C12 C13 C14 59.78(16) . . . . ? C11 C12 C13 Fe1 -58.89(16) . . . . ? C15 Fe1 C13 C12 80.48(15) . . . . ? C24 Fe1 C13 C12 -165.40(13) . . . . ? C22 Fe1 C13 C12 -81.67(16) . . . . ? C23 Fe1 C13 C12 -124.14(14) . . . . ? C25 Fe1 C13 C12 163.0(3) . . . . ? C14 Fe1 C13 C12 118.5(2) . . . . ? C11 Fe1 C13 C12 36.21(14) . . . . ? C21 Fe1 C13 C12 -45.4(3) . . . . ? Fe3 Fe1 C13 C12 17.14(14) . . . . ? C15 Fe1 C13 C14 -38.05(16) . . . . ? C24 Fe1 C13 C14 76.07(18) . . . . ? C22 Fe1 C13 C14 159.80(16) . . . . ? C23 Fe1 C13 C14 117.33(16) . . . . ? C12 Fe1 C13 C14 -118.5(2) . . . . ? C25 Fe1 C13 C14 44.5(4) . . . . ? C11 Fe1 C13 C14 -82.32(16) . . . . ? C21 Fe1 C13 C14 -163.9(2) . . . . ? Fe3 Fe1 C13 C14 -101.39(15) . . . . ? C12 C13 C14 C15 -0.5(3) . . . . ? Fe1 C13 C14 C15 59.05(16) . . . . ? C12 C13 C14 Fe1 -59.55(15) . . . . ? C15 Fe1 C14 C13 118.8(2) . . . . ? C24 Fe1 C14 C13 -123.70(16) . . . . ? C22 Fe1 C14 C13 -46.2(3) . . . . ? C23 Fe1 C14 C13 -80.97(19) . . . . ? C12 Fe1 C14 C13 38.04(15) . . . . ? C25 Fe1 C14 C13 -165.62(16) . . . . ? C11 Fe1 C14 C13 82.18(17) . . . . ? C21 Fe1 C14 C13 156.6(3) . . . . ? Fe3 Fe1 C14 C13 100.54(15) . . . . ? C24 Fe1 C14 C15 117.54(17) . . . . ? C22 Fe1 C14 C15 -165.0(2) . . . . ? C23 Fe1 C14 C15 160.28(17) . . . . ? C12 Fe1 C14 C15 -80.71(17) . . . . ? C25 Fe1 C14 C15 75.6(2) . . . . ? C13 Fe1 C14 C15 -118.8(2) . . . . ? C11 Fe1 C14 C15 -36.58(15) . . . . ? C21 Fe1 C14 C15 37.9(5) . . . . ? Fe3 Fe1 C14 C15 -18.22(18) . . . . ? C13 C14 C15 C11 0.0(3) . . . . ? Fe1 C14 C15 C11 59.37(16) . . . . ? C13 C14 C15 Fe1 -59.41(16) . . . . ? C12 C11 C15 C14 0.5(2) . . . . ? Fe1 C11 C15 C14 -58.89(17) . . . . ? Fe3 C11 C15 C14 -124.91(18) . . . . ? Li1 C11 C15 C14 157.60(19) . . . . ? C12 C11 C15 Fe1 59.43(14) . . . . ? Fe3 C11 C15 Fe1 -66.02(13) . . . . ? Li1 C11 C15 Fe1 -143.51(17) . . . . ? C24 Fe1 C15 C14 -81.40(18) . . . . ? C22 Fe1 C15 C14 160.0(3) . . . . ? C23 Fe1 C15 C14 -46.5(3) . . . . ? C12 Fe1 C15 C14 81.79(17) . . . . ? C25 Fe1 C15 C14 -124.80(17) . . . . ? C13 Fe1 C15 C14 37.86(16) . . . . ? C11 Fe1 C15 C14 121.9(2) . . . . ? C21 Fe1 C15 C14 -167.10(16) . . . . ? Fe3 Fe1 C15 C14 163.54(16) . . . . ? C24 Fe1 C15 C11 156.74(14) . . . . ? C22 Fe1 C15 C11 38.1(4) . . . . ? C23 Fe1 C15 C11 -168.3(2) . . . . ? C12 Fe1 C15 C11 -40.08(13) . . . . ? C25 Fe1 C15 C11 113.34(15) . . . . ? C13 Fe1 C15 C11 -84.00(15) . . . . ? C14 Fe1 C15 C11 -121.9(2) . . . . ? C21 Fe1 C15 C11 71.03(17) . . . . ? Fe3 Fe1 C15 C11 41.68(12) . . . . ? C15 Fe1 C21 C25 78.16(18) . . . . ? C24 Fe1 C21 C25 -36.81(15) . . . . ? C22 Fe1 C21 C25 -116.9(2) . . . . ? C23 Fe1 C21 C25 -80.31(16) . . . . ? C12 Fe1 C21 C25 159.90(14) . . . . ? C13 Fe1 C21 C25 -168.0(2) . . . . ? C14 Fe1 C21 C25 49.0(4) . . . . ? C11 Fe1 C21 C25 118.25(15) . . . . ? Fe3 Fe1 C21 C25 114.55(15) . . . . ? C15 Fe1 C21 C22 -164.99(16) . . . . ? C24 Fe1 C21 C22 80.04(17) . . . . ? C23 Fe1 C21 C22 36.54(17) . . . . ? C12 Fe1 C21 C22 -83.24(18) . . . . ? C25 Fe1 C21 C22 116.9(2) . . . . ? C13 Fe1 C21 C22 -51.1(3) . . . . ? C14 Fe1 C21 C22 165.9(3) . . . . ? C11 Fe1 C21 C22 -124.89(17) . . . . ? Fe3 Fe1 C21 C22 -128.60(18) . . . . ? C15 Fe1 C21 Fe3 -58.7(2) . . . 2_656 ? C24 Fe1 C21 Fe3 -173.7(2) . . . 2_656 ? C22 Fe1 C21 Fe3 106.3(3) . . . 2_656 ? C23 Fe1 C21 Fe3 142.8(2) . . . 2_656 ? C12 Fe1 C21 Fe3 23.0(2) . . . 2_656 ? C25 Fe1 C21 Fe3 -136.9(3) . . . 2_656 ? C13 Fe1 C21 Fe3 55.1(3) . . . 2_656 ? C14 Fe1 C21 Fe3 -87.9(4) . . . 2_656 ? C11 Fe1 C21 Fe3 -18.6(2) . . . 2_656 ? Fe3 Fe1 C21 Fe3 -22.33(15) . . . 2_656 ? C15 Fe1 C21 Fe3 -36.39(14) . . . . ? C24 Fe1 C21 Fe3 -151.36(11) . . . . ? C22 Fe1 C21 Fe3 128.60(18) . . . . ? C23 Fe1 C21 Fe3 165.14(11) . . . . ? C12 Fe1 C21 Fe3 45.35(11) . . . . ? C25 Fe1 C21 Fe3 -114.55(15) . . . . ? C13 Fe1 C21 Fe3 77.5(2) . . . . ? C14 Fe1 C21 Fe3 -65.6(4) . . . . ? C11 Fe1 C21 Fe3 3.71(10) . . . . ? C31 Fe3 C21 C25 56.16(19) . . . . ? C11 Fe3 C21 C25 -64.95(17) . . . . ? C21 Fe3 C21 C25 176.27(14) 2_656 . . . ? Fe3 Fe3 C21 C25 132.96(18) 2_656 . . . ? Li1 Fe3 C21 C25 -42.3(3) . . . . ? Fe1 Fe3 C21 C25 -61.36(14) . . . . ? C31 Fe3 C21 C22 172.22(17) . . . . ? C11 Fe3 C21 C22 51.1(2) . . . . ? C21 Fe3 C21 C22 -67.67(17) 2_656 . . . ? Fe3 Fe3 C21 C22 -111.0(2) 2_656 . . . ? Li1 Fe3 C21 C22 73.8(3) . . . . ? Fe1 Fe3 C21 C22 54.69(16) . . . . ? C31 Fe3 C21 Fe1 117.53(10) . . . . ? C11 Fe3 C21 Fe1 -3.59(10) . . . . ? C21 Fe3 C21 Fe1 -122.37(5) 2_656 . . . ? Fe3 Fe3 C21 Fe1 -165.68(10) 2_656 . . . ? Li1 Fe3 C21 Fe1 19.1(3) . . . . ? C31 Fe3 C21 Fe3 -76.79(11) . . . 2_656 ? C11 Fe3 C21 Fe3 162.09(8) . . . 2_656 ? C21 Fe3 C21 Fe3 43.31(11) 2_656 . . 2_656 ? Li1 Fe3 C21 Fe3 -175.2(2) . . . 2_656 ? Fe1 Fe3 C21 Fe3 165.68(10) . . . 2_656 ? C25 C21 C22 C23 -0.9(2) . . . . ? Fe1 C21 C22 C23 -59.15(16) . . . . ? Fe3 C21 C22 C23 162.01(16) 2_656 . . . ? Fe3 C21 C22 C23 -118.4(2) . . . . ? C25 C21 C22 Fe1 58.21(15) . . . . ? Fe3 C21 C22 Fe1 -138.84(16) 2_656 . . . ? Fe3 C21 C22 Fe1 -59.29(14) . . . . ? C15 Fe1 C22 C23 164.2(3) . . . . ? C24 Fe1 C22 C23 37.72(15) . . . . ? C12 Fe1 C22 C23 -124.16(16) . . . . ? C25 Fe1 C22 C23 82.15(17) . . . . ? C13 Fe1 C22 C23 -81.69(19) . . . . ? C14 Fe1 C22 C23 -48.7(3) . . . . ? C11 Fe1 C22 C23 -166.64(15) . . . . ? C21 Fe1 C22 C23 121.1(2) . . . . ? Fe3 Fe1 C22 C23 160.62(15) . . . . ? C15 Fe1 C22 C21 43.1(4) . . . . ? C24 Fe1 C22 C21 -83.35(16) . . . . ? C23 Fe1 C22 C21 -121.1(2) . . . . ? C12 Fe1 C22 C21 114.77(17) . . . . ? C25 Fe1 C22 C21 -38.93(16) . . . . ? C13 Fe1 C22 C21 157.23(16) . . . . ? C14 Fe1 C22 C21 -169.8(3) . . . . ? C11 Fe1 C22 C21 72.28(19) . . . . ? Fe3 Fe1 C22 C21 39.54(15) . . . . ? C21 C22 C23 C24 1.0(3) . . . . ? Fe1 C22 C23 C24 -59.39(16) . . . . ? C21 C22 C23 Fe1 60.38(16) . . . . ? C15 Fe1 C23 C22 -167.7(2) . . . . ? C24 Fe1 C23 C22 -119.1(2) . . . . ? C12 Fe1 C23 C22 75.17(17) . . . . ? C25 Fe1 C23 C22 -80.59(16) . . . . ? C13 Fe1 C23 C22 116.45(16) . . . . ? C14 Fe1 C23 C22 158.81(15) . . . . ? C11 Fe1 C23 C22 36.9(4) . . . . ? C21 Fe1 C23 C22 -36.85(14) . . . . ? Fe3 Fe1 C23 C22 -22.76(17) . . . . ? C15 Fe1 C23 C24 -48.5(3) . . . . ? C22 Fe1 C23 C24 119.1(2) . . . . ? C12 Fe1 C23 C24 -165.69(14) . . . . ? C25 Fe1 C23 C24 38.55(14) . . . . ? C13 Fe1 C23 C24 -124.41(15) . . . . ? C14 Fe1 C23 C24 -82.05(17) . . . . ? C11 Fe1 C23 C24 156.0(3) . . . . ? C21 Fe1 C23 C24 82.29(15) . . . . ? Fe3 Fe1 C23 C24 96.39(14) . . . . ? C22 C23 C24 C25 -0.6(3) . . . . ? Fe1 C23 C24 C25 -60.03(17) . . . . ? C22 C23 C24 Fe1 59.42(16) . . . . ? C15 Fe1 C24 C23 159.45(14) . . . . ? C22 Fe1 C24 C23 -37.69(14) . . . . ? C12 Fe1 C24 C23 42.0(4) . . . . ? C25 Fe1 C24 C23 -118.16(19) . . . . ? C13 Fe1 C24 C23 74.98(17) . . . . ? C14 Fe1 C24 C23 116.63(15) . . . . ? C11 Fe1 C24 C23 -161.6(2) . . . . ? C21 Fe1 C24 C23 -81.68(15) . . . . ? Fe3 Fe1 C24 C23 -107.56(13) . . . . ? C15 Fe1 C24 C25 -82.39(16) . . . . ? C22 Fe1 C24 C25 80.47(15) . . . . ? C23 Fe1 C24 C25 118.16(19) . . . . ? C12 Fe1 C24 C25 160.2(3) . . . . ? C13 Fe1 C24 C25 -166.86(14) . . . . ? C14 Fe1 C24 C25 -125.22(14) . . . . ? C11 Fe1 C24 C25 -43.5(3) . . . . ? C21 Fe1 C24 C25 36.48(14) . . . . ? Fe3 Fe1 C24 C25 10.59(15) . . . . ? C23 C24 C25 C21 0.0(3) . . . . ? Fe1 C24 C25 C21 -60.00(17) . . . . ? C23 C24 C25 Fe1 60.01(16) . . . . ? C22 C21 C25 C24 0.6(3) . . . . ? Fe1 C21 C25 C24 58.51(17) . . . . ? Fe3 C21 C25 C24 -157.74(19) 2_656 . . . ? Fe3 C21 C25 C24 125.74(18) . . . . ? C22 C21 C25 Fe1 -57.95(15) . . . . ? Fe3 C21 C25 Fe1 143.8(2) 2_656 . . . ? Fe3 C21 C25 Fe1 67.23(10) . . . . ? C15 Fe1 C25 C24 116.98(15) . . . . ? C22 Fe1 C25 C24 -82.06(16) . . . . ? C23 Fe1 C25 C24 -38.15(14) . . . . ? C12 Fe1 C25 C24 -166.1(2) . . . . ? C13 Fe1 C25 C24 40.5(4) . . . . ? C14 Fe1 C25 C24 75.08(18) . . . . ? C11 Fe1 C25 C24 160.92(14) . . . . ? C21 Fe1 C25 C24 -121.2(2) . . . . ? Fe3 Fe1 C25 C24 -170.35(14) . . . . ? C15 Fe1 C25 C21 -121.78(15) . . . . ? C24 Fe1 C25 C21 121.2(2) . . . . ? C22 Fe1 C25 C21 39.18(15) . . . . ? C23 Fe1 C25 C21 83.09(15) . . . . ? C12 Fe1 C25 C21 -44.8(3) . . . . ? C13 Fe1 C25 C21 161.8(3) . . . . ? C14 Fe1 C25 C21 -163.68(14) . . . . ? C11 Fe1 C25 C21 -77.84(16) . . . . ? Fe3 Fe1 C25 C21 -49.10(13) . . . . ? C11 Fe3 C31 C35 76.5(2) . . . . ? C21 Fe3 C31 C35 -153.60(18) 2_656 . . . ? C21 Fe3 C31 C35 -40.7(2) . . . . ? Fe3 Fe3 C31 C35 -93.58(18) 2_656 . . . ? Li1 Fe3 C31 C35 109.7(2) . . . . ? Fe1 Fe3 C31 C35 24.7(2) . . . . ? C11 Fe3 C31 C32 -129.2(2) . . . . ? C21 Fe3 C31 C32 0.7(2) 2_656 . . . ? C21 Fe3 C31 C32 113.6(2) . . . . ? Fe3 Fe3 C31 C32 60.8(2) 2_656 . . . ? Li1 Fe3 C31 C32 -96.0(3) . . . . ? Fe1 Fe3 C31 C32 179.06(17) . . . . ? C11 Fe3 C31 Fe2 153.23(12) . . . . ? C21 Fe3 C31 Fe2 -76.84(14) 2_656 . . . ? C21 Fe3 C31 Fe2 36.06(17) . . . . ? Fe3 Fe3 C31 Fe2 -16.82(13) 2_656 . . . ? Li1 Fe3 C31 Fe2 -173.53(19) . . . . ? Fe1 Fe3 C31 Fe2 101.48(10) . . . . ? C11 Fe3 C31 Li1 -33.23(16) . . . . ? C21 Fe3 C31 Li1 96.69(14) 2_656 . . . ? C21 Fe3 C31 Li1 -150.40(14) . . . . ? Fe3 Fe3 C31 Li1 156.72(12) 2_656 . . . ? Fe1 Fe3 C31 Li1 -84.98(15) . . . . ? C33 Fe2 C31 C35 -79.83(17) . . . . ? C33 Fe2 C31 C35 46.5(3) 2_656 . . . ? C32 Fe2 C31 C35 83.49(17) 2_656 . . . ? C32 Fe2 C31 C35 -116.7(2) . . . . ? C34 Fe2 C31 C35 -36.46(16) . . . . ? C34 Fe2 C31 C35 -156.1(3) 2_656 . . . ? C35 Fe2 C31 C35 167.29(11) 2_656 . . . ? C31 Fe2 C31 C35 126.24(18) 2_656 . . . ? C33 Fe2 C31 C32 36.86(15) . . . . ? C33 Fe2 C31 C32 163.2(2) 2_656 . . . ? C32 Fe2 C31 C32 -159.82(13) 2_656 . . . ? C34 Fe2 C31 C32 80.23(15) . . . . ? C34 Fe2 C31 C32 -39.4(4) 2_656 . . . ? C35 Fe2 C31 C32 -76.02(17) 2_656 . . . ? C35 Fe2 C31 C32 116.7(2) . . . . ? C31 Fe2 C31 C32 -117.06(15) 2_656 . . . ? C33 Fe2 C31 Fe3 161.58(16) . . . . ? C33 Fe2 C31 Fe3 -72.1(3) 2_656 . . . ? C32 Fe2 C31 Fe3 -35.09(17) 2_656 . . . ? C32 Fe2 C31 Fe3 124.72(19) . . . . ? C34 Fe2 C31 Fe3 -155.05(17) . . . . ? C34 Fe2 C31 Fe3 85.3(4) 2_656 . . . ? C35 Fe2 C31 Fe3 48.70(19) 2_656 . . . ? C35 Fe2 C31 Fe3 -118.6(2) . . . . ? C31 Fe2 C31 Fe3 7.66(6) 2_656 . . . ? C33 Fe2 C31 Li1 69.7(15) . . . . ? C33 Fe2 C31 Li1 -163.9(14) 2_656 . . . ? C32 Fe2 C31 Li1 -127.0(14) 2_656 . . . ? C32 Fe2 C31 Li1 32.8(14) . . . . ? C34 Fe2 C31 Li1 113.1(15) . . . . ? C34 Fe2 C31 Li1 -6.6(17) 2_656 . . . ? C35 Fe2 C31 Li1 -43.2(15) 2_656 . . . ? C35 Fe2 C31 Li1 149.5(15) . . . . ? C31 Fe2 C31 Li1 -84.2(14) 2_656 . . . ? N2 Li1 C31 C35 35.2(3) . . . . ? N1 Li1 C31 C35 144.0(3) . . . . ? C11 Li1 C31 C35 -88.0(2) . . . . ? Fe3 Li1 C31 C35 -117.7(2) . . . . ? C4 Li1 C31 C35 56.5(4) . . . . ? N2 Li1 C31 C32 -81.2(3) . . . . ? N1 Li1 C31 C32 27.6(3) . . . . ? C11 Li1 C31 C32 155.53(18) . . . . ? Fe3 Li1 C31 C32 125.90(18) . . . . ? C4 Li1 C31 C32 -59.9(4) . . . . ? N2 Li1 C31 Fe3 152.9(2) . . . . ? N1 Li1 C31 Fe3 -98.3(2) . . . . ? C11 Li1 C31 Fe3 29.63(12) . . . . ? C4 Li1 C31 Fe3 174.2(3) . . . . ? N2 Li1 C31 Fe2 -112.8(14) . . . . ? N1 Li1 C31 Fe2 -4.1(16) . . . . ? C11 Li1 C31 Fe2 123.9(14) . . . . ? Fe3 Li1 C31 Fe2 94.2(14) . . . . ? C4 Li1 C31 Fe2 -91.6(14) . . . . ? C35 C31 C32 C33 -0.5(3) . . . . ? Fe3 C31 C32 C33 -158.70(18) . . . . ? Fe2 C31 C32 C33 -58.72(17) . . . . ? Li1 C31 C32 C33 124.7(2) . . . . ? C35 C31 C32 Fe2 58.20(15) . . . . ? Fe3 C31 C32 Fe2 -99.97(19) . . . . ? Li1 C31 C32 Fe2 -176.57(15) . . . . ? C33 Fe2 C32 C33 -36.3(4) 2_656 . . . ? C32 Fe2 C32 C33 168.43(15) 2_656 . . . ? C34 Fe2 C32 C33 37.90(15) . . . . ? C34 Fe2 C32 C33 -71.82(18) 2_656 . . . ? C35 Fe2 C32 C33 -114.21(15) 2_656 . . . ? C35 Fe2 C32 C33 81.99(15) . . . . ? C31 Fe2 C32 C33 -157.43(14) 2_656 . . . ? C31 Fe2 C32 C33 121.0(2) . . . . ? C33 Fe2 C32 C31 -121.0(2) . . . . ? C33 Fe2 C32 C31 -157.4(3) 2_656 . . . ? C32 Fe2 C32 C31 47.40(12) 2_656 . . . ? C34 Fe2 C32 C31 -83.13(15) . . . . ? C34 Fe2 C32 C31 167.15(13) 2_656 . . . ? C35 Fe2 C32 C31 124.76(14) 2_656 . . . ? C35 Fe2 C32 C31 -39.04(13) . . . . ? C31 Fe2 C32 C31 81.54(19) 2_656 . . . ? C31 C32 C33 C34 0.1(3) . . . . ? Fe2 C32 C33 C34 -60.33(17) . . . . ? C31 C32 C33 Fe2 60.46(17) . . . . ? C33 Fe2 C33 C34 -74.39(14) 2_656 . . . ? C32 Fe2 C33 C34 -46.7(4) 2_656 . . . ? C32 Fe2 C33 C34 118.5(2) . . . . ? C34 Fe2 C33 C34 -114.90(18) 2_656 . . . ? C35 Fe2 C33 C34 -156.61(15) 2_656 . . . ? C35 Fe2 C33 C34 38.09(14) . . . . ? C31 Fe2 C33 C34 170.3(2) 2_656 . . . ? C31 Fe2 C33 C34 81.80(16) . . . . ? C33 Fe2 C33 C32 167.13(17) 2_656 . . . ? C32 Fe2 C33 C32 -165.1(2) 2_656 . . . ? C34 Fe2 C33 C32 -118.5(2) . . . . ? C34 Fe2 C33 C32 126.61(15) 2_656 . . . ? C35 Fe2 C33 C32 84.90(16) 2_656 . . . ? C35 Fe2 C33 C32 -80.40(15) . . . . ? C31 Fe2 C33 C32 51.8(3) 2_656 . . . ? C31 Fe2 C33 C32 -36.69(14) . . . . ? C32 C33 C34 C35 0.3(3) . . . . ? Fe2 C33 C34 C35 -59.76(16) . . . . ? C32 C33 C34 Fe2 60.08(16) . . . . ? C33 Fe2 C34 C33 123.36(18) 2_656 . . . ? C32 Fe2 C34 C33 163.70(15) 2_656 . . . ? C32 Fe2 C34 C33 -38.35(15) . . . . ? C34 Fe2 C34 C33 81.51(14) 2_656 . . . ? C35 Fe2 C34 C33 51.0(3) 2_656 . . . ? C35 Fe2 C34 C33 -118.6(2) . . . . ? C31 Fe2 C34 C33 -165.6(3) 2_656 . . . ? C31 Fe2 C34 C33 -82.21(16) . . . . ? C33 Fe2 C34 C35 118.6(2) . . . . ? C33 Fe2 C34 C35 -118.02(17) 2_656 . . . ? C32 Fe2 C34 C35 -77.68(18) 2_656 . . . ? C32 Fe2 C34 C35 80.28(17) . . . . ? C34 Fe2 C34 C35 -159.87(18) 2_656 . . . ? C35 Fe2 C34 C35 169.62(13) 2_656 . . . ? C31 Fe2 C34 C35 -47.0(4) 2_656 . . . ? C31 Fe2 C34 C35 36.42(16) . . . . ? C33 C34 C35 C31 -0.7(3) . . . . ? Fe2 C34 C35 C31 -60.04(17) . . . . ? C33 C34 C35 Fe2 59.37(16) . . . . ? C32 C31 C35 C34 0.7(3) . . . . ? Fe3 C31 C35 C34 160.50(16) . . . . ? Fe2 C31 C35 C34 58.65(17) . . . . ? Li1 C31 C35 C34 -117.9(2) . . . . ? C32 C31 C35 Fe2 -57.92(15) . . . . ? Fe3 C31 C35 Fe2 101.85(15) . . . . ? Li1 C31 C35 Fe2 -176.6(2) . . . . ? C33 Fe2 C35 C34 -37.89(16) . . . . ? C33 Fe2 C35 C34 79.07(19) 2_656 . . . ? C32 Fe2 C35 C34 122.79(17) 2_656 . . . ? C32 Fe2 C35 C34 -82.31(17) . . . . ? C34 Fe2 C35 C34 43.4(4) 2_656 . . . ? C35 Fe2 C35 C34 -162.67(16) 2_656 . . . ? C31 Fe2 C35 C34 164.91(16) 2_656 . . . ? C31 Fe2 C35 C34 -121.5(2) . . . . ? C33 Fe2 C35 C31 83.58(18) . . . . ? C33 Fe2 C35 C31 -159.46(15) 2_656 . . . ? C32 Fe2 C35 C31 -115.73(16) 2_656 . . . ? C32 Fe2 C35 C31 39.17(15) . . . . ? C34 Fe2 C35 C31 121.5(2) . . . . ? C34 Fe2 C35 C31 164.9(2) 2_656 . . . ? C35 Fe2 C35 C31 -41.19(14) 2_656 . . . ? C31 Fe2 C35 C31 -73.6(2) 2_656 . . . ? _diffrn_measured_fraction_theta_max 0.948 _diffrn_reflns_theta_full 25.70 _diffrn_measured_fraction_theta_full 0.948 _refine_diff_density_max 0.280 _refine_diff_density_min -0.387 _refine_diff_density_rms 0.057 data_wa276 _database_code_depnum_ccdc_archive 'CCDC 296319' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C42 H56 Fe3 Li6 N4' _chemical_formula_weight 826.10 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' Fe Fe 0.3463 0.8444 '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 C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 21.420(5) _cell_length_b 10.730(3) _cell_length_c 17.830(4) _cell_angle_alpha 90.00 _cell_angle_beta 99.533(17) _cell_angle_gamma 90.00 _cell_volume 4041.4(17) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 2241 _cell_measurement_theta_min 3.8 _cell_measurement_theta_max 25.1 _exptl_crystal_description needle _exptl_crystal_colour redbrown _exptl_crystal_size_max 0.16 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.358 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1728 _exptl_absorpt_coefficient_mu 1.097 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.8441 _exptl_absorpt_correction_T_max 0.9371 _exptl_absorpt_process_details 'MULABS (Spek, 1990; Blessing, 1995)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'STOE IPDS II two-circle-diffractometer' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean ? _diffrn_standards_number 0 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0 _diffrn_reflns_number 9280 _diffrn_reflns_av_R_equivalents 0.1753 _diffrn_reflns_av_sigmaI/netI 0.3197 _diffrn_reflns_limit_h_min -26 _diffrn_reflns_limit_h_max 26 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 3.80 _diffrn_reflns_theta_max 25.85 _reflns_number_total 3787 _reflns_number_gt 1244 _reflns_threshold_expression I>2\s(I) _computing_data_collection 'X-Area (Stoe & Cie, 2001)' _computing_cell_refinement 'X-Area (Stoe & Cie, 2001)' _computing_data_reduction 'X-Area (Stoe & Cie, 2001)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1990) ' _computing_structure_refinement 'SHELXL97 (Sheldrick, 1997) ' _computing_molecular_graphics 'XP in SHELXTL-Plus (Sheldrick, 1991)' _computing_publication_material SHELXL97 _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0010P)^2^] 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 3787 _refine_ls_number_parameters 249 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1753 _refine_ls_R_factor_gt 0.0550 _refine_ls_wR_factor_ref 0.1055 _refine_ls_wR_factor_gt 0.0756 _refine_ls_goodness_of_fit_ref 0.623 _refine_ls_restrained_S_all 0.623 _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 Li1 Li 0.3524(6) 0.5709(12) 0.6372(6) 0.039(3) Uani 1 1 d . . . Li2 Li 0.4490(5) 0.6643(15) 0.6985(6) 0.049(4) Uani 1 1 d . . . Li3 Li 0.5311(9) 0.5054(16) 0.6909(7) 0.067(5) Uani 1 1 d . . . Fe1 Fe 0.49326(5) 0.78383(13) 0.58685(6) 0.0289(3) Uani 1 1 d . . . Fe2 Fe 0.5000 0.30243(18) 0.7500 0.0306(4) Uani 1 2 d S . . N1 N 0.2772(3) 0.6307(6) 0.6979(4) 0.0330(17) Uani 1 1 d . . . N2 N 0.2813(3) 0.4814(6) 0.5596(3) 0.0331(16) Uani 1 1 d . . . C1 C 0.2757(3) 0.7662(9) 0.6870(5) 0.051(2) Uani 1 1 d . . . H1A H 0.2761 0.7853 0.6333 0.077 Uiso 1 1 calc R . . H1B H 0.3128 0.8037 0.7184 0.077 Uiso 1 1 calc R . . H1C H 0.2371 0.8002 0.7020 0.077 Uiso 1 1 calc R . . C2 C 0.2787(4) 0.6038(9) 0.7784(4) 0.047(2) Uani 1 1 d . . . H2A H 0.2773 0.5134 0.7859 0.071 Uiso 1 1 calc R . . H2B H 0.2420 0.6424 0.7955 0.071 Uiso 1 1 calc R . . H2C H 0.3177 0.6374 0.8079 0.071 Uiso 1 1 calc R . . C3 C 0.2197(4) 0.5741(10) 0.6525(4) 0.044(2) Uani 1 1 d . . . H3A H 0.1828 0.6281 0.6556 0.053 Uiso 1 1 calc R . . H3B H 0.2118 0.4921 0.6746 0.053 Uiso 1 1 calc R . . C4 C 0.2260(4) 0.5568(9) 0.5696(5) 0.042(2) Uani 1 1 d . . . H4A H 0.1873 0.5160 0.5426 0.051 Uiso 1 1 calc R . . H4B H 0.2294 0.6396 0.5462 0.051 Uiso 1 1 calc R . . C5 C 0.2751(4) 0.3542(9) 0.5845(5) 0.055(3) Uani 1 1 d . . . H5A H 0.3137 0.3077 0.5800 0.082 Uiso 1 1 calc R . . H5B H 0.2387 0.3149 0.5526 0.082 Uiso 1 1 calc R . . H5C H 0.2686 0.3540 0.6376 0.082 Uiso 1 1 calc R . . C6 C 0.2887(4) 0.4838(9) 0.4789(4) 0.049(2) Uani 1 1 d . . . H6A H 0.3259 0.4346 0.4721 0.074 Uiso 1 1 calc R . . H6B H 0.2943 0.5700 0.4632 0.074 Uiso 1 1 calc R . . H6C H 0.2509 0.4483 0.4478 0.074 Uiso 1 1 calc R . . C11 C 0.4001(3) 0.7246(9) 0.5931(4) 0.0310(19) Uani 1 1 d . . . C12 C 0.4067(3) 0.8585(9) 0.5982(4) 0.034(2) Uani 1 1 d . . . H12 H 0.3969 0.9070 0.6393 0.040 Uiso 1 1 calc R . . C13 C 0.4301(4) 0.9099(9) 0.5327(5) 0.037(2) Uani 1 1 d . . . H13 H 0.4392 0.9948 0.5240 0.045 Uiso 1 1 calc R . . C14 C 0.4364(3) 0.8080(9) 0.4850(4) 0.032(2) Uani 1 1 d . . . H14 H 0.4504 0.8118 0.4371 0.038 Uiso 1 1 calc R . . C15 C 0.4185(3) 0.6991(10) 0.5206(4) 0.035(2) Uani 1 1 d . . . H15 H 0.4185 0.6181 0.4991 0.041 Uiso 1 1 calc R . . C21 C 0.5478(3) 0.6903(9) 0.6776(5) 0.032(2) Uani 1 1 d . . . C22 C 0.5579(3) 0.8216(8) 0.6818(4) 0.035(2) Uani 1 1 d . . . H22 H 0.5513 0.8704 0.7243 0.042 Uiso 1 1 calc R . . C23 C 0.5785(4) 0.8723(9) 0.6178(5) 0.038(2) Uani 1 1 d . . . H23 H 0.5867 0.9577 0.6093 0.046 Uiso 1 1 calc R . . C24 C 0.5849(3) 0.7708(9) 0.5676(4) 0.038(2) Uani 1 1 d . . . H24 H 0.5980 0.7766 0.5194 0.046 Uiso 1 1 calc R . . C25 C 0.5681(4) 0.6606(8) 0.6026(5) 0.038(2) Uani 1 1 d . . . H25 H 0.5693 0.5792 0.5818 0.046 Uiso 1 1 calc R . . C31 C 0.4293(4) 0.4213(9) 0.6956(5) 0.045(3) Uani 1 1 d . . . C32 C 0.4052(4) 0.3368(9) 0.7474(5) 0.041(2) Uani 1 1 d . . . H32 H 0.3853 0.3624 0.7887 0.049 Uiso 1 1 calc R . . C33 C 0.4152(4) 0.2104(11) 0.7282(5) 0.043(2) Uani 1 1 d . . . H33 H 0.4046 0.1389 0.7549 0.051 Uiso 1 1 calc R . . C34 C 0.4436(4) 0.2105(11) 0.6625(5) 0.043(2) Uani 1 1 d . . . H34 H 0.4551 0.1393 0.6362 0.052 Uiso 1 1 calc R . . C35 C 0.4520(4) 0.3367(9) 0.6428(4) 0.034(2) Uani 1 1 d . . . H35 H 0.4702 0.3626 0.6003 0.040 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Li1 0.044(7) 0.038(8) 0.032(6) -0.004(6) -0.004(6) 0.007(6) Li2 0.025(6) 0.093(13) 0.028(6) 0.021(7) 0.000(5) -0.006(6) Li3 0.125(14) 0.050(11) 0.033(7) -0.003(7) 0.034(9) -0.014(10) Fe1 0.0270(5) 0.0334(7) 0.0250(5) 0.0014(6) 0.0005(4) -0.0004(6) Fe2 0.0326(9) 0.0272(11) 0.0315(9) 0.000 0.0043(7) 0.000 N1 0.030(3) 0.034(4) 0.032(3) -0.005(3) -0.003(3) -0.003(3) N2 0.032(3) 0.033(4) 0.032(3) -0.003(3) 0.000(3) -0.002(3) C1 0.042(4) 0.045(6) 0.071(5) -0.003(5) 0.024(4) 0.003(4) C2 0.063(6) 0.049(6) 0.029(4) -0.001(4) 0.008(4) 0.001(4) C3 0.032(4) 0.065(7) 0.035(4) -0.011(4) 0.006(4) -0.005(4) C4 0.034(4) 0.052(6) 0.038(5) -0.005(4) -0.003(4) -0.005(4) C5 0.068(6) 0.050(6) 0.042(4) -0.002(4) -0.002(4) -0.011(5) C6 0.053(5) 0.062(7) 0.031(4) -0.004(4) 0.001(4) -0.005(5) C11 0.029(4) 0.033(5) 0.029(4) -0.001(4) 0.001(3) 0.007(4) C12 0.018(3) 0.054(6) 0.028(4) 0.001(4) 0.000(3) 0.006(4) C13 0.027(4) 0.042(6) 0.038(5) 0.007(4) -0.008(4) -0.011(4) C14 0.024(3) 0.045(6) 0.027(4) -0.004(4) 0.007(3) 0.008(4) C15 0.026(3) 0.044(5) 0.034(4) -0.008(4) 0.005(3) 0.002(4) C21 0.014(3) 0.041(6) 0.039(4) 0.007(4) -0.001(3) -0.001(3) C22 0.027(4) 0.048(6) 0.029(4) 0.006(4) 0.001(3) -0.008(4) C23 0.027(4) 0.037(5) 0.044(5) 0.012(4) -0.010(4) -0.009(4) C24 0.030(4) 0.054(6) 0.028(4) 0.004(4) -0.002(3) -0.003(4) C25 0.031(4) 0.038(5) 0.044(5) 0.002(4) 0.000(4) 0.003(4) C31 0.043(5) 0.041(6) 0.044(5) -0.002(4) -0.012(4) 0.010(4) C32 0.032(4) 0.060(7) 0.031(4) 0.001(4) 0.007(4) 0.009(4) C33 0.031(4) 0.056(6) 0.039(4) 0.004(5) -0.001(4) -0.004(5) C34 0.037(4) 0.044(6) 0.046(5) -0.009(5) 0.001(4) -0.009(5) C35 0.029(4) 0.046(6) 0.024(4) -0.005(4) 0.001(3) -0.005(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Li1 N2 2.112(13) . ? Li1 C11 2.156(17) . ? Li1 N1 2.182(15) . ? Li1 C31 2.409(14) . ? Li1 Li2 2.394(16) . ? Li2 C11 2.097(12) . ? Li2 C21 2.226(14) . ? Li2 C21 2.216(14) 2_656 ? Li2 Li3 2.47(2) . ? Li2 Li2 2.609(19) 2_656 ? Li2 Li3 2.589(19) 2_656 ? Li2 C31 2.640(18) . ? Li2 Fe1 2.670(12) . ? Li2 C22 2.744(16) 2_656 ? Li3 C21 2.036(19) . ? Li3 C31 2.250(16) 2_656 ? Li3 C31 2.38(2) . ? Li3 C32 2.42(2) 2_656 ? Li3 C25 2.507(18) . ? Li3 C35 2.531(19) . ? Li3 Fe2 2.556(17) . ? Li3 Li2 2.589(19) 2_656 ? Li3 Li3 2.68(3) 2_656 ? Fe1 C14 2.029(7) . ? Fe1 C13 2.040(8) . ? Fe1 C22 2.043(7) . ? Fe1 C24 2.052(8) . ? Fe1 C23 2.051(8) . ? Fe1 C12 2.060(8) . ? Fe1 C15 2.040(7) . ? Fe1 C25 2.061(8) . ? Fe1 C21 2.090(7) . ? Fe1 C11 2.114(8) . ? Fe2 C33 2.047(9) . ? Fe2 C33 2.047(9) 2_656 ? Fe2 C35 2.049(7) 2_656 ? Fe2 C35 2.049(7) . ? Fe2 C32 2.058(9) 2_656 ? Fe2 C32 2.058(9) . ? Fe2 C34 2.060(8) . ? Fe2 C34 2.060(8) 2_656 ? Fe2 C31 2.092(8) 2_656 ? Fe2 C31 2.092(8) . ? Fe2 Li3 2.556(17) 2_656 ? N1 C1 1.466(10) . ? N1 C2 1.459(10) . ? N1 C3 1.486(8) . ? N2 C5 1.448(11) . ? N2 C4 1.469(10) . ? N2 C6 1.473(10) . ? C1 H1A 0.9800 . ? C1 H1B 0.9800 . ? C1 H1C 0.9800 . ? C2 H2A 0.9800 . ? C2 H2B 0.9800 . ? C2 H2C 0.9800 . ? C3 C4 1.517(12) . ? C3 H3A 0.9900 . ? C3 H3B 0.9900 . ? C4 H4A 0.9900 . ? C4 H4B 0.9900 . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C11 C12 1.445(12) . ? C11 C15 1.438(11) . ? C12 C13 1.453(12) . ? C12 H12 0.9500 . ? C13 C14 1.406(12) . ? C13 H13 0.9500 . ? C14 C15 1.414(13) . ? C14 H14 0.9500 . ? C15 H15 0.9500 . ? C21 C22 1.426(13) . ? C21 C25 1.507(13) . ? C21 Li2 2.216(14) 2_656 ? C22 C23 1.400(12) . ? C22 Li2 2.745(16) 2_656 ? C22 H22 0.9500 . ? C23 C24 1.429(13) . ? C23 H23 0.9500 . ? C24 C25 1.412(12) . ? C24 H24 0.9500 . ? C25 H25 0.9500 . ? C31 C32 1.449(13) . ? C31 C35 1.449(13) . ? C31 Li3 2.250(16) 2_656 ? C32 C33 1.424(14) . ? C32 Li3 2.42(2) 2_656 ? C32 H32 0.9500 . ? C33 C34 1.407(12) . ? C33 H33 0.9500 . ? C34 C35 1.418(14) . ? C34 H34 0.9500 . ? C35 H35 0.9500 . ? 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 N2 Li1 C11 116.3(6) . . ? N2 Li1 N1 87.0(5) . . ? C11 Li1 N1 112.9(6) . . ? N2 Li1 C31 110.3(6) . . ? C11 Li1 C31 109.6(6) . . ? N1 Li1 C31 119.3(6) . . ? N2 Li1 Li2 164.7(8) . . ? C11 Li1 Li2 54.6(5) . . ? N1 Li1 Li2 107.7(6) . . ? C31 Li1 Li2 66.7(5) . . ? C11 Li2 C21 99.2(6) . . ? C11 Li2 C21 141.5(8) . 2_656 ? C21 Li2 C21 106.2(5) . 2_656 ? C11 Li2 Li1 56.9(4) . . ? C21 Li2 Li1 138.6(7) . . ? C21 Li2 Li1 112.9(6) 2_656 . ? C11 Li2 Li3 114.7(7) . . ? C21 Li2 Li3 51.1(5) . . ? C21 Li2 Li3 103.8(5) 2_656 . ? Li1 Li2 Li3 104.8(8) . . ? C11 Li2 Li2 150.0(7) . 2_656 ? C21 Li2 Li2 53.8(5) . 2_656 ? C21 Li2 Li2 54.2(4) 2_656 2_656 ? Li1 Li2 Li2 151.7(5) . 2_656 ? Li3 Li2 Li2 61.2(5) . 2_656 ? C11 Li2 Li3 151.8(8) . 2_656 ? C21 Li2 Li3 99.8(6) . 2_656 ? C21 Li2 Li3 49.4(5) 2_656 2_656 ? Li1 Li2 Li3 95.3(7) . 2_656 ? Li3 Li2 Li3 63.8(7) . 2_656 ? Li2 Li2 Li3 56.7(5) 2_656 2_656 ? C11 Li2 C31 103.5(6) . . ? C21 Li2 C31 105.9(6) . . ? C21 Li2 C31 97.0(6) 2_656 . ? Li1 Li2 C31 56.9(5) . . ? Li3 Li2 C31 55.3(6) . . ? Li2 Li2 C31 97.3(3) 2_656 . ? Li3 Li2 C31 51.0(5) 2_656 . ? C11 Li2 Fe1 50.9(3) . . ? C21 Li2 Fe1 49.5(3) . . ? C21 Li2 Fe1 136.6(7) 2_656 . ? Li1 Li2 Fe1 104.3(5) . . ? Li3 Li2 Fe1 86.9(5) . . ? Li2 Li2 Fe1 99.6(6) 2_656 . ? Li3 Li2 Fe1 148.3(6) 2_656 . ? C31 Li2 Fe1 122.4(6) . . ? C11 Li2 C22 115.0(7) . 2_656 ? C21 Li2 C22 103.2(5) . 2_656 ? C21 Li2 C22 31.1(4) 2_656 2_656 ? Li1 Li2 C22 117.3(6) . 2_656 ? Li3 Li2 C22 126.8(5) . 2_656 ? Li2 Li2 C22 66.4(4) 2_656 2_656 ? Li3 Li2 C22 80.5(5) 2_656 2_656 ? C31 Li2 C22 126.4(5) . 2_656 ? Fe1 Li2 C22 110.8(6) . 2_656 ? C21 Li3 C31 116.6(7) . 2_656 ? C21 Li3 C31 123.6(9) . . ? C31 Li3 C31 91.6(6) 2_656 . ? C21 Li3 C32 133.2(9) . 2_656 ? C31 Li3 C32 35.9(4) 2_656 2_656 ? C31 Li3 C32 98.7(7) . 2_656 ? C21 Li3 Li2 58.3(6) . . ? C31 Li3 Li2 113.1(7) 2_656 . ? C31 Li3 Li2 66.0(7) . . ? C32 Li3 Li2 147.6(7) 2_656 . ? C21 Li3 C25 36.9(4) . . ? C31 Li3 C25 136.0(8) 2_656 . ? C31 Li3 C25 131.4(8) . . ? C32 Li3 C25 124.7(9) 2_656 . ? Li2 Li3 C25 83.0(6) . . ? C21 Li3 C35 141.1(8) . . ? C31 Li3 C35 98.6(7) 2_656 . ? C31 Li3 C35 34.2(4) . . ? C32 Li3 C35 85.1(6) 2_656 . ? Li2 Li3 C35 94.0(7) . . ? C25 Li3 C35 121.7(6) . . ? C21 Li3 Fe2 160.2(8) . . ? C31 Li3 Fe2 51.1(4) 2_656 . ? C31 Li3 Fe2 50.0(4) . . ? C32 Li3 Fe2 48.8(4) 2_656 . ? Li2 Li3 Fe2 109.2(8) . . ? C25 Li3 Fe2 162.9(7) . . ? C35 Li3 Fe2 47.5(4) . . ? C21 Li3 Li2 55.7(5) . 2_656 ? C31 Li3 Li2 65.7(5) 2_656 2_656 ? C31 Li3 Li2 105.0(7) . 2_656 ? C32 Li3 Li2 97.9(6) 2_656 2_656 ? Li2 Li3 Li2 62.1(6) . 2_656 ? C25 Li3 Li2 90.7(7) . 2_656 ? C35 Li3 Li2 138.2(8) . 2_656 ? Fe2 Li3 Li2 105.5(6) . 2_656 ? C21 Li3 Li3 102.2(5) . 2_656 ? C31 Li3 Li3 56.9(5) 2_656 2_656 ? C31 Li3 Li3 52.5(7) . 2_656 ? C32 Li3 Li3 87.6(5) 2_656 2_656 ? Li2 Li3 Li3 60.3(6) . 2_656 ? C25 Li3 Li3 138.2(5) . 2_656 ? C35 Li3 Li3 82.7(7) . 2_656 ? Fe2 Li3 Li3 58.4(4) . 2_656 ? Li2 Li3 Li3 55.9(5) 2_656 2_656 ? C14 Fe1 C13 40.4(3) . . ? C14 Fe1 C22 160.1(4) . . ? C13 Fe1 C22 124.5(3) . . ? C14 Fe1 C24 107.9(3) . . ? C13 Fe1 C24 123.0(4) . . ? C22 Fe1 C24 67.4(3) . . ? C14 Fe1 C23 123.8(3) . . ? C13 Fe1 C23 108.2(3) . . ? C22 Fe1 C23 40.0(3) . . ? C24 Fe1 C23 40.8(4) . . ? C14 Fe1 C12 67.8(3) . . ? C13 Fe1 C12 41.5(3) . . ? C22 Fe1 C12 109.8(3) . . ? C24 Fe1 C12 160.7(4) . . ? C23 Fe1 C12 124.7(4) . . ? C14 Fe1 C15 40.7(3) . . ? C13 Fe1 C15 68.0(4) . . ? C22 Fe1 C15 158.1(3) . . ? C24 Fe1 C15 123.6(3) . . ? C23 Fe1 C15 160.2(4) . . ? C12 Fe1 C15 66.2(3) . . ? C14 Fe1 C25 122.8(3) . . ? C13 Fe1 C25 158.5(4) . . ? C22 Fe1 C25 67.0(3) . . ? C24 Fe1 C25 40.2(3) . . ? C23 Fe1 C25 67.8(3) . . ? C12 Fe1 C25 158.2(4) . . ? C15 Fe1 C25 108.1(3) . . ? C14 Fe1 C21 158.5(4) . . ? C13 Fe1 C21 158.0(4) . . ? C22 Fe1 C21 40.3(4) . . ? C24 Fe1 C21 70.7(3) . . ? C23 Fe1 C21 69.8(3) . . ? C12 Fe1 C21 120.5(3) . . ? C15 Fe1 C21 121.3(3) . . ? C25 Fe1 C21 42.6(3) . . ? C14 Fe1 C11 69.8(3) . . ? C13 Fe1 C11 70.5(3) . . ? C22 Fe1 C11 122.2(3) . . ? C24 Fe1 C11 157.7(4) . . ? C23 Fe1 C11 158.6(4) . . ? C12 Fe1 C11 40.5(3) . . ? C15 Fe1 C11 40.5(3) . . ? C25 Fe1 C11 121.3(4) . . ? C21 Fe1 C11 103.1(3) . . ? C14 Fe1 Li2 119.7(3) . . ? C13 Fe1 Li2 112.4(4) . . ? C22 Fe1 Li2 75.7(3) . . ? C24 Fe1 Li2 124.0(3) . . ? C23 Fe1 Li2 115.6(3) . . ? C12 Fe1 Li2 71.2(4) . . ? C15 Fe1 Li2 82.9(3) . . ? C25 Fe1 Li2 87.3(4) . . ? C21 Fe1 Li2 54.1(3) . . ? C11 Fe1 Li2 50.4(3) . . ? C33 Fe2 C33 122.3(6) . 2_656 ? C33 Fe2 C35 123.8(3) . 2_656 ? C33 Fe2 C35 67.5(3) 2_656 2_656 ? C33 Fe2 C35 67.5(3) . . ? C33 Fe2 C35 123.8(3) 2_656 . ? C35 Fe2 C35 159.3(5) 2_656 . ? C33 Fe2 C32 158.8(4) . 2_656 ? C33 Fe2 C32 40.6(4) 2_656 2_656 ? C35 Fe2 C32 66.8(3) 2_656 2_656 ? C35 Fe2 C32 109.3(4) . 2_656 ? C33 Fe2 C32 40.6(4) . . ? C33 Fe2 C32 158.8(4) 2_656 . ? C35 Fe2 C32 109.3(4) 2_656 . ? C35 Fe2 C32 66.8(3) . . ? C32 Fe2 C32 159.3(6) 2_656 . ? C33 Fe2 C34 40.1(3) . . ? C33 Fe2 C34 107.7(4) 2_656 . ? C35 Fe2 C34 159.0(4) 2_656 . ? C35 Fe2 C34 40.4(4) . . ? C32 Fe2 C34 123.7(4) 2_656 . ? C32 Fe2 C34 67.4(4) . . ? C33 Fe2 C34 107.7(4) . 2_656 ? C33 Fe2 C34 40.1(3) 2_656 2_656 ? C35 Fe2 C34 40.4(4) 2_656 2_656 ? C35 Fe2 C34 159.0(4) . 2_656 ? C32 Fe2 C34 67.4(4) 2_656 2_656 ? C32 Fe2 C34 123.7(4) . 2_656 ? C34 Fe2 C34 122.8(6) . 2_656 ? C33 Fe2 C31 159.0(4) . 2_656 ? C33 Fe2 C31 69.8(4) 2_656 2_656 ? C35 Fe2 C31 40.9(4) 2_656 2_656 ? C35 Fe2 C31 122.4(4) . 2_656 ? C32 Fe2 C31 40.9(4) 2_656 2_656 ? C32 Fe2 C31 122.5(4) . 2_656 ? C34 Fe2 C31 158.7(4) . 2_656 ? C34 Fe2 C31 69.6(4) 2_656 2_656 ? C33 Fe2 C31 69.8(4) . . ? C33 Fe2 C31 159.0(4) 2_656 . ? C35 Fe2 C31 122.4(4) 2_656 . ? C35 Fe2 C31 40.9(4) . . ? C32 Fe2 C31 122.5(4) 2_656 . ? C32 Fe2 C31 40.9(4) . . ? C34 Fe2 C31 69.6(4) . . ? C34 Fe2 C31 158.7(4) 2_656 . ? C31 Fe2 C31 104.9(5) 2_656 . ? C33 Fe2 Li3 128.1(5) . . ? C33 Fe2 Li3 101.8(5) 2_656 . ? C35 Fe2 Li3 96.1(4) 2_656 . ? C35 Fe2 Li3 65.6(4) . . ? C32 Fe2 Li3 62.1(5) 2_656 . ? C32 Fe2 Li3 99.3(5) . . ? C34 Fe2 Li3 104.8(4) . . ? C34 Fe2 Li3 124.1(5) 2_656 . ? C31 Fe2 Li3 56.9(4) 2_656 . ? C31 Fe2 Li3 60.5(5) . . ? C33 Fe2 Li3 101.8(5) . 2_656 ? C33 Fe2 Li3 128.1(5) 2_656 2_656 ? C35 Fe2 Li3 65.6(4) 2_656 2_656 ? C35 Fe2 Li3 96.1(4) . 2_656 ? C32 Fe2 Li3 99.3(5) 2_656 2_656 ? C32 Fe2 Li3 62.1(5) . 2_656 ? C34 Fe2 Li3 124.1(5) . 2_656 ? C34 Fe2 Li3 104.8(4) 2_656 2_656 ? C31 Fe2 Li3 60.5(5) 2_656 2_656 ? C31 Fe2 Li3 56.9(4) . 2_656 ? Li3 Fe2 Li3 63.1(7) . 2_656 ? C1 N1 C2 108.9(7) . . ? C1 N1 C3 109.6(6) . . ? C2 N1 C3 109.7(7) . . ? C1 N1 Li1 103.1(6) . . ? C2 N1 Li1 122.1(6) . . ? C3 N1 Li1 102.8(5) . . ? C5 N2 C4 111.3(7) . . ? C5 N2 C6 110.2(7) . . ? C4 N2 C6 109.2(6) . . ? C5 N2 Li1 108.7(5) . . ? C4 N2 Li1 100.3(6) . . ? C6 N2 Li1 116.7(6) . . ? N1 C1 H1A 109.5 . . ? N1 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? N1 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? N1 C2 H2A 109.5 . . ? N1 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? N1 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? N1 C3 C4 112.4(7) . . ? N1 C3 H3A 109.1 . . ? C4 C3 H3A 109.1 . . ? N1 C3 H3B 109.1 . . ? C4 C3 H3B 109.1 . . ? H3A C3 H3B 107.8 . . ? N2 C4 C3 113.0(7) . . ? N2 C4 H4A 109.0 . . ? C3 C4 H4A 109.0 . . ? N2 C4 H4B 109.0 . . ? C3 C4 H4B 109.0 . . ? H4A C4 H4B 107.8 . . ? N2 C5 H5A 109.5 . . ? N2 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? N2 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? N2 C6 H6A 109.5 . . ? N2 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? N2 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C12 C11 C15 102.0(8) . . ? C12 C11 Li2 102.8(6) . . ? C15 C11 Li2 125.2(7) . . ? C12 C11 Fe1 67.8(5) . . ? C15 C11 Fe1 67.0(4) . . ? Li2 C11 Fe1 78.7(4) . . ? C12 C11 Li1 141.7(8) . . ? C15 C11 Li1 113.5(7) . . ? Li2 C11 Li1 68.5(5) . . ? Fe1 C11 Li1 139.2(5) . . ? C11 C12 C13 111.7(8) . . ? C11 C12 Fe1 71.7(5) . . ? C13 C12 Fe1 68.5(5) . . ? C11 C12 H12 124.2 . . ? C13 C12 H12 124.2 . . ? Fe1 C12 H12 127.3 . . ? C14 C13 C12 105.8(8) . . ? C14 C13 Fe1 69.4(5) . . ? C12 C13 Fe1 70.0(5) . . ? C14 C13 H13 127.1 . . ? C12 C13 H13 127.1 . . ? Fe1 C13 H13 125.1 . . ? C15 C14 C13 108.0(7) . . ? C15 C14 Fe1 70.1(4) . . ? C13 C14 Fe1 70.2(4) . . ? C15 C14 H14 126.0 . . ? C13 C14 H14 126.0 . . ? Fe1 C14 H14 125.3 . . ? C14 C15 C11 112.4(8) . . ? C14 C15 Fe1 69.3(4) . . ? C11 C15 Fe1 72.5(4) . . ? C14 C15 H15 123.8 . . ? C11 C15 H15 123.8 . . ? Fe1 C15 H15 126.0 . . ? C22 C21 C25 101.1(7) . . ? C22 C21 Li3 170.0(8) . . ? C25 C21 Li3 88.8(7) . . ? C22 C21 Fe1 68.1(4) . . ? C25 C21 Fe1 67.7(4) . . ? Li3 C21 Fe1 118.1(5) . . ? C22 C21 Li2 104.8(7) . . ? C25 C21 Li2 122.9(6) . . ? Li3 C21 Li2 70.6(7) . . ? Fe1 C21 Li2 76.4(4) . . ? C22 C21 Li2 95.3(7) . 2_656 ? C25 C21 Li2 153.2(7) . 2_656 ? Li3 C21 Li2 74.9(6) . 2_656 ? Fe1 C21 Li2 138.8(5) . 2_656 ? Li2 C21 Li2 71.9(5) . 2_656 ? C23 C22 C21 114.0(8) . . ? C23 C22 Fe1 70.3(4) . . ? C21 C22 Fe1 71.6(4) . . ? C23 C22 Li2 159.7(7) . 2_656 ? C21 C22 Li2 53.5(5) . 2_656 ? Fe1 C22 Li2 113.9(4) . 2_656 ? C23 C22 H22 123.0 . . ? C21 C22 H22 123.0 . . ? Fe1 C22 H22 126.8 . . ? Li2 C22 H22 71.6 2_656 . ? C22 C23 C24 106.9(8) . . ? C22 C23 Fe1 69.7(4) . . ? C24 C23 Fe1 69.7(4) . . ? C22 C23 H23 126.6 . . ? C24 C23 H23 126.6 . . ? Fe1 C23 H23 125.7 . . ? C23 C24 C25 107.7(7) . . ? C23 C24 Fe1 69.6(5) . . ? C25 C24 Fe1 70.3(5) . . ? C23 C24 H24 126.1 . . ? C25 C24 H24 126.1 . . ? Fe1 C24 H24 125.6 . . ? C24 C25 C21 110.3(7) . . ? C24 C25 Fe1 69.6(5) . . ? C21 C25 Fe1 69.8(4) . . ? C24 C25 Li3 164.6(8) . . ? C21 C25 Li3 54.3(6) . . ? Fe1 C25 Li3 101.1(6) . . ? C24 C25 H25 124.9 . . ? C21 C25 H25 124.9 . . ? Fe1 C25 H25 127.4 . . ? Li3 C25 H25 70.6 . . ? C32 C31 C35 102.5(8) . . ? C32 C31 Fe2 68.3(5) . . ? C35 C31 Fe2 67.9(5) . . ? C32 C31 Li3 78.4(7) . 2_656 ? C35 C31 Li3 136.0(7) . 2_656 ? Fe2 C31 Li3 72.0(5) . 2_656 ? C32 C31 Li3 133.4(7) . . ? C35 C31 Li3 78.8(7) . . ? Fe2 C31 Li3 69.5(5) . . ? Li3 C31 Li3 70.6(7) 2_656 . ? C32 C31 Li1 113.7(7) . . ? C35 C31 Li1 114.6(6) . . ? Fe2 C31 Li1 175.8(6) . . ? Li3 C31 Li1 104.5(6) 2_656 . ? Li3 C31 Li1 107.3(7) . . ? C32 C31 Li2 132.7(8) . . ? C35 C31 Li2 124.1(8) . . ? Fe2 C31 Li2 119.4(4) . . ? Li3 C31 Li2 63.3(5) 2_656 . ? Li3 C31 Li2 58.7(6) . . ? Li1 C31 Li2 56.4(4) . . ? C33 C32 C31 111.0(9) . . ? C33 C32 Fe2 69.3(5) . . ? C31 C32 Fe2 70.8(5) . . ? C33 C32 Li3 136.5(7) . 2_656 ? C31 C32 Li3 65.7(6) . 2_656 ? Fe2 C32 Li3 69.1(5) . 2_656 ? C33 C32 H32 124.5 . . ? C31 C32 H32 124.5 . . ? Fe2 C32 H32 127.0 . . ? Li3 C32 H32 73.9 2_656 . ? C34 C33 C32 107.7(10) . . ? C34 C33 Fe2 70.4(5) . . ? C32 C33 Fe2 70.1(6) . . ? C34 C33 H33 126.2 . . ? C32 C33 H33 126.2 . . ? Fe2 C33 H33 124.9 . . ? C33 C34 C35 107.2(9) . . ? C33 C34 Fe2 69.5(5) . . ? C35 C34 Fe2 69.4(5) . . ? C33 C34 H34 126.4 . . ? C35 C34 H34 126.4 . . ? Fe2 C34 H34 126.3 . . ? C34 C35 C31 111.6(9) . . ? C34 C35 Fe2 70.2(5) . . ? C31 C35 Fe2 71.1(4) . . ? C34 C35 Li3 134.8(6) . . ? C31 C35 Li3 67.1(6) . . ? Fe2 C35 Li3 66.9(4) . . ? C34 C35 H35 124.2 . . ? C31 C35 H35 124.2 . . ? Fe2 C35 H35 126.0 . . ? Li3 C35 H35 73.8 . . ? 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 N2 Li1 Li2 C11 57(3) . . . . ? N1 Li1 Li2 C11 -106.0(7) . . . . ? C31 Li1 Li2 C11 139.1(7) . . . . ? N2 Li1 Li2 C21 -6(4) . . . . ? C11 Li1 Li2 C21 -63.2(10) . . . . ? N1 Li1 Li2 C21 -169.1(9) . . . . ? C31 Li1 Li2 C21 75.9(11) . . . . ? N2 Li1 Li2 C21 -165(2) . . . 2_656 ? C11 Li1 Li2 C21 137.6(9) . . . 2_656 ? N1 Li1 Li2 C21 31.6(9) . . . 2_656 ? C31 Li1 Li2 C21 -83.3(7) . . . 2_656 ? N2 Li1 Li2 Li3 -53(3) . . . . ? C11 Li1 Li2 Li3 -110.1(7) . . . . ? N1 Li1 Li2 Li3 143.9(6) . . . . ? C31 Li1 Li2 Li3 28.9(6) . . . . ? N2 Li1 Li2 Li2 -109(3) . . . 2_656 ? C11 Li1 Li2 Li2 -166.1(19) . . . 2_656 ? N1 Li1 Li2 Li2 87.9(18) . . . 2_656 ? C31 Li1 Li2 Li2 -27.1(17) . . . 2_656 ? N2 Li1 Li2 Li3 -117(3) . . . 2_656 ? C11 Li1 Li2 Li3 -174.5(8) . . . 2_656 ? N1 Li1 Li2 Li3 79.6(7) . . . 2_656 ? C31 Li1 Li2 Li3 -35.4(6) . . . 2_656 ? N2 Li1 Li2 C31 -82(3) . . . . ? C11 Li1 Li2 C31 -139.1(7) . . . . ? N1 Li1 Li2 C31 115.0(7) . . . . ? N2 Li1 Li2 Fe1 38(3) . . . . ? C11 Li1 Li2 Fe1 -19.5(4) . . . . ? N1 Li1 Li2 Fe1 -125.5(6) . . . . ? C31 Li1 Li2 Fe1 119.6(6) . . . . ? N2 Li1 Li2 C22 161(3) . . . 2_656 ? C11 Li1 Li2 C22 103.5(7) . . . 2_656 ? N1 Li1 Li2 C22 -2.5(9) . . . 2_656 ? C31 Li1 Li2 C22 -117.5(6) . . . 2_656 ? C11 Li2 Li3 C21 81.6(7) . . . . ? C21 Li2 Li3 C21 -99.8(7) 2_656 . . . ? Li1 Li2 Li3 C21 141.6(7) . . . . ? Li2 Li2 Li3 C21 -65.1(5) 2_656 . . . ? Li3 Li2 Li3 C21 -129.7(8) 2_656 . . . ? C31 Li2 Li3 C21 171.1(6) . . . . ? Fe1 Li2 Li3 C21 37.6(4) . . . . ? C22 Li2 Li3 C21 -76.3(8) 2_656 . . . ? C11 Li2 Li3 C31 -170.5(7) . . . 2_656 ? C21 Li2 Li3 C31 107.9(9) . . . 2_656 ? C21 Li2 Li3 C31 8.1(10) 2_656 . . 2_656 ? Li1 Li2 Li3 C31 -110.5(8) . . . 2_656 ? Li2 Li2 Li3 C31 42.9(7) 2_656 . . 2_656 ? Li3 Li2 Li3 C31 -21.8(7) 2_656 . . 2_656 ? C31 Li2 Li3 C31 -80.9(8) . . . 2_656 ? Fe1 Li2 Li3 C31 145.5(7) . . . 2_656 ? C22 Li2 Li3 C31 31.6(12) 2_656 . . 2_656 ? C11 Li2 Li3 C31 -89.6(7) . . . . ? C21 Li2 Li3 C31 -171.1(6) . . . . ? C21 Li2 Li3 C31 89.0(6) 2_656 . . . ? Li1 Li2 Li3 C31 -29.6(6) . . . . ? Li2 Li2 Li3 C31 123.8(6) 2_656 . . . ? Li3 Li2 Li3 C31 59.1(5) 2_656 . . . ? Fe1 Li2 Li3 C31 -133.6(4) . . . . ? C22 Li2 Li3 C31 112.6(8) 2_656 . . . ? C11 Li2 Li3 C32 -156.5(13) . . . 2_656 ? C21 Li2 Li3 C32 121.9(16) . . . 2_656 ? C21 Li2 Li3 C32 22.1(18) 2_656 . . 2_656 ? Li1 Li2 Li3 C32 -96.5(15) . . . 2_656 ? Li2 Li2 Li3 C32 56.8(14) 2_656 . . 2_656 ? Li3 Li2 Li3 C32 -7.9(14) 2_656 . . 2_656 ? C31 Li2 Li3 C32 -67.0(15) . . . 2_656 ? Fe1 Li2 Li3 C32 159.5(15) . . . 2_656 ? C22 Li2 Li3 C32 45.6(19) 2_656 . . 2_656 ? C11 Li2 Li3 C25 52.1(8) . . . . ? C21 Li2 Li3 C25 -29.5(4) . . . . ? C21 Li2 Li3 C25 -129.3(6) 2_656 . . . ? Li1 Li2 Li3 C25 112.1(6) . . . . ? Li2 Li2 Li3 C25 -94.5(6) 2_656 . . . ? Li3 Li2 Li3 C25 -159.2(8) 2_656 . . . ? C31 Li2 Li3 C25 141.7(6) . . . . ? Fe1 Li2 Li3 C25 8.1(4) . . . . ? C22 Li2 Li3 C25 -105.8(7) 2_656 . . . ? C11 Li2 Li3 C35 -69.4(8) . . . . ? C21 Li2 Li3 C35 -151.0(6) . . . . ? C21 Li2 Li3 C35 109.2(6) 2_656 . . . ? Li1 Li2 Li3 C35 -9.4(7) . . . . ? Li2 Li2 Li3 C35 144.0(6) 2_656 . . . ? Li3 Li2 Li3 C35 79.3(6) 2_656 . . . ? C31 Li2 Li3 C35 20.2(4) . . . . ? Fe1 Li2 Li3 C35 -113.4(4) . . . . ? C22 Li2 Li3 C35 132.7(7) 2_656 . . . ? C11 Li2 Li3 Fe2 -115.5(7) . . . . ? C21 Li2 Li3 Fe2 162.9(7) . . . . ? C21 Li2 Li3 Fe2 63.1(7) 2_656 . . . ? Li1 Li2 Li3 Fe2 -55.5(7) . . . . ? Li2 Li2 Li3 Fe2 97.8(6) 2_656 . . . ? Li3 Li2 Li3 Fe2 33.2(5) 2_656 . . . ? C31 Li2 Li3 Fe2 -26.0(4) . . . . ? Fe1 Li2 Li3 Fe2 -159.5(5) . . . . ? C22 Li2 Li3 Fe2 86.6(9) 2_656 . . . ? C11 Li2 Li3 Li2 146.6(8) . . . 2_656 ? C21 Li2 Li3 Li2 65.1(5) . . . 2_656 ? C21 Li2 Li3 Li2 -34.7(7) 2_656 . . 2_656 ? Li1 Li2 Li3 Li2 -153.3(8) . . . 2_656 ? Li3 Li2 Li3 Li2 -64.7(7) 2_656 . . 2_656 ? C31 Li2 Li3 Li2 -123.8(6) . . . 2_656 ? Fe1 Li2 Li3 Li2 102.7(4) . . . 2_656 ? C22 Li2 Li3 Li2 -11.2(8) 2_656 . . 2_656 ? C11 Li2 Li3 Li3 -148.7(9) . . . 2_656 ? C21 Li2 Li3 Li3 129.7(8) . . . 2_656 ? C21 Li2 Li3 Li3 29.9(7) 2_656 . . 2_656 ? Li1 Li2 Li3 Li3 -88.7(7) . . . 2_656 ? Li2 Li2 Li3 Li3 64.7(7) 2_656 . . 2_656 ? C31 Li2 Li3 Li3 -59.1(5) . . . 2_656 ? Fe1 Li2 Li3 Li3 167.3(7) . . . 2_656 ? C22 Li2 Li3 Li3 53.4(8) 2_656 . . 2_656 ? C11 Li2 Fe1 C14 -8.8(6) . . . . ? C21 Li2 Fe1 C14 155.5(5) . . . . ? C21 Li2 Fe1 C14 -136.2(7) 2_656 . . . ? Li1 Li2 Fe1 C14 12.4(8) . . . . ? Li3 Li2 Fe1 C14 116.9(5) . . . . ? Li2 Li2 Fe1 C14 177.0(4) 2_656 . . . ? Li3 Li2 Fe1 C14 138.9(12) 2_656 . . . ? C31 Li2 Fe1 C14 72.0(6) . . . . ? C22 Li2 Fe1 C14 -114.7(4) 2_656 . . . ? C11 Li2 Fe1 C13 35.8(6) . . . . ? C21 Li2 Fe1 C13 -159.9(4) . . . . ? C21 Li2 Fe1 C13 -91.7(8) 2_656 . . . ? Li1 Li2 Fe1 C13 56.9(7) . . . . ? Li3 Li2 Fe1 C13 161.4(5) . . . . ? Li2 Li2 Fe1 C13 -138.4(4) 2_656 . . . ? Li3 Li2 Fe1 C13 -176.5(12) 2_656 . . . ? C31 Li2 Fe1 C13 116.6(5) . . . . ? C22 Li2 Fe1 C13 -70.1(4) 2_656 . . . ? C11 Li2 Fe1 C22 157.6(5) . . . . ? C21 Li2 Fe1 C22 -38.1(5) . . . . ? C21 Li2 Fe1 C22 30.1(8) 2_656 . . . ? Li1 Li2 Fe1 C22 178.7(7) . . . . ? Li3 Li2 Fe1 C22 -76.8(5) . . . . ? Li2 Li2 Fe1 C22 -16.6(4) 2_656 . . . ? Li3 Li2 Fe1 C22 -54.7(12) 2_656 . . . ? C31 Li2 Fe1 C22 -121.6(5) . . . . ? C22 Li2 Fe1 C22 51.7(4) 2_656 . . . ? C11 Li2 Fe1 C24 -153.0(5) . . . . ? C21 Li2 Fe1 C24 11.3(6) . . . . ? C21 Li2 Fe1 C24 79.6(10) 2_656 . . . ? Li1 Li2 Fe1 C24 -131.8(5) . . . . ? Li3 Li2 Fe1 C24 -27.3(7) . . . . ? Li2 Li2 Fe1 C24 32.9(6) 2_656 . . . ? Li3 Li2 Fe1 C24 -5.3(15) 2_656 . . . ? C31 Li2 Fe1 C24 -72.2(6) . . . . ? C22 Li2 Fe1 C24 101.1(5) 2_656 . . . ? C11 Li2 Fe1 C23 160.7(5) . . . . ? C21 Li2 Fe1 C23 -35.1(6) . . . . ? C21 Li2 Fe1 C23 33.2(10) 2_656 . . . ? Li1 Li2 Fe1 C23 -178.2(5) . . . . ? Li3 Li2 Fe1 C23 -73.7(6) . . . . ? Li2 Li2 Fe1 C23 -13.5(5) 2_656 . . . ? Li3 Li2 Fe1 C23 -51.6(14) 2_656 . . . ? C31 Li2 Fe1 C23 -118.5(5) . . . . ? C22 Li2 Fe1 C23 54.7(5) 2_656 . . . ? C11 Li2 Fe1 C12 40.4(4) . . . . ? C21 Li2 Fe1 C12 -155.3(5) . . . . ? C21 Li2 Fe1 C12 -87.0(9) 2_656 . . . ? Li1 Li2 Fe1 C12 61.6(6) . . . . ? Li3 Li2 Fe1 C12 166.1(6) . . . . ? Li2 Li2 Fe1 C12 -133.8(4) 2_656 . . . ? Li3 Li2 Fe1 C12 -171.9(14) 2_656 . . . ? C31 Li2 Fe1 C12 121.2(5) . . . . ? C22 Li2 Fe1 C12 -65.5(4) 2_656 . . . ? C11 Li2 Fe1 C15 -26.9(5) . . . . ? C21 Li2 Fe1 C15 137.4(5) . . . . ? C21 Li2 Fe1 C15 -154.3(9) 2_656 . . . ? Li1 Li2 Fe1 C15 -5.7(6) . . . . ? Li3 Li2 Fe1 C15 98.8(5) . . . . ? Li2 Li2 Fe1 C15 159.0(4) 2_656 . . . ? Li3 Li2 Fe1 C15 120.8(13) 2_656 . . . ? C31 Li2 Fe1 C15 54.0(5) . . . . ? C22 Li2 Fe1 C15 -132.8(5) 2_656 . . . ? C11 Li2 Fe1 C25 -135.5(5) . . . . ? C21 Li2 Fe1 C25 28.8(4) . . . . ? C21 Li2 Fe1 C25 97.1(8) 2_656 . . . ? Li1 Li2 Fe1 C25 -114.3(6) . . . . ? Li3 Li2 Fe1 C25 -9.8(5) . . . . ? Li2 Li2 Fe1 C25 50.3(4) 2_656 . . . ? Li3 Li2 Fe1 C25 12.2(13) 2_656 . . . ? C31 Li2 Fe1 C25 -54.7(5) . . . . ? C22 Li2 Fe1 C25 118.6(4) 2_656 . . . ? C11 Li2 Fe1 C21 -164.3(7) . . . . ? C21 Li2 Fe1 C21 68.3(7) 2_656 . . . ? Li1 Li2 Fe1 C21 -143.1(8) . . . . ? Li3 Li2 Fe1 C21 -38.6(5) . . . . ? Li2 Li2 Fe1 C21 21.5(4) 2_656 . . . ? Li3 Li2 Fe1 C21 -16.6(11) 2_656 . . . ? C31 Li2 Fe1 C21 -83.5(6) . . . . ? C22 Li2 Fe1 C21 89.8(5) 2_656 . . . ? C21 Li2 Fe1 C11 164.3(7) . . . . ? C21 Li2 Fe1 C11 -127.4(11) 2_656 . . . ? Li1 Li2 Fe1 C11 21.2(5) . . . . ? Li3 Li2 Fe1 C11 125.7(7) . . . . ? Li2 Li2 Fe1 C11 -174.2(6) 2_656 . . . ? Li3 Li2 Fe1 C11 147.7(15) 2_656 . . . ? C31 Li2 Fe1 C11 80.8(6) . . . . ? C22 Li2 Fe1 C11 -105.9(6) 2_656 . . . ? C21 Li3 Fe2 C33 98(3) . . . . ? C31 Li3 Fe2 C33 154.8(5) 2_656 . . . ? C31 Li3 Fe2 C33 18.7(6) . . . . ? C32 Li3 Fe2 C33 -157.7(5) 2_656 . . . ? Li2 Li3 Fe2 C33 50.1(7) . . . . ? C25 Li3 Fe2 C33 -84(3) . . . . ? C35 Li3 Fe2 C33 -27.2(6) . . . . ? Li2 Li3 Fe2 C33 115.4(6) 2_656 . . . ? Li3 Li3 Fe2 C33 84.0(7) 2_656 . . . ? C21 Li3 Fe2 C33 -113(3) . . . 2_656 ? C31 Li3 Fe2 C33 -56.0(5) 2_656 . . 2_656 ? C31 Li3 Fe2 C33 167.8(4) . . . 2_656 ? C32 Li3 Fe2 C33 -8.6(5) 2_656 . . 2_656 ? Li2 Li3 Fe2 C33 -160.7(5) . . . 2_656 ? C25 Li3 Fe2 C33 66(3) . . . 2_656 ? C35 Li3 Fe2 C33 122.0(4) . . . 2_656 ? Li2 Li3 Fe2 C33 -95.5(7) 2_656 . . 2_656 ? Li3 Li3 Fe2 C33 -126.9(7) 2_656 . . 2_656 ? C21 Li3 Fe2 C35 -45(3) . . . 2_656 ? C31 Li3 Fe2 C35 12.2(5) 2_656 . . 2_656 ? C31 Li3 Fe2 C35 -124.0(4) . . . 2_656 ? C32 Li3 Fe2 C35 59.6(4) 2_656 . . 2_656 ? Li2 Li3 Fe2 C35 -92.5(6) . . . 2_656 ? C25 Li3 Fe2 C35 134(3) . . . 2_656 ? C35 Li3 Fe2 C35 -169.8(3) . . . 2_656 ? Li2 Li3 Fe2 C35 -27.3(7) 2_656 . . 2_656 ? Li3 Li3 Fe2 C35 -58.7(7) 2_656 . . 2_656 ? C21 Li3 Fe2 C35 125(3) . . . . ? C31 Li3 Fe2 C35 -178.0(6) 2_656 . . . ? C31 Li3 Fe2 C35 45.9(4) . . . . ? C32 Li3 Fe2 C35 -130.5(5) 2_656 . . . ? Li2 Li3 Fe2 C35 77.3(6) . . . . ? C25 Li3 Fe2 C35 -56(3) . . . . ? Li2 Li3 Fe2 C35 142.6(8) 2_656 . . . ? Li3 Li3 Fe2 C35 111.2(8) 2_656 . . . ? C21 Li3 Fe2 C32 -105(3) . . . 2_656 ? C31 Li3 Fe2 C32 -47.5(5) 2_656 . . 2_656 ? C31 Li3 Fe2 C32 176.4(5) . . . 2_656 ? Li2 Li3 Fe2 C32 -152.2(7) . . . 2_656 ? C25 Li3 Fe2 C32 74(3) . . . 2_656 ? C35 Li3 Fe2 C32 130.5(5) . . . 2_656 ? Li2 Li3 Fe2 C32 -86.9(6) 2_656 . . 2_656 ? Li3 Li3 Fe2 C32 -118.3(7) 2_656 . . 2_656 ? C21 Li3 Fe2 C32 66(3) . . . . ? C31 Li3 Fe2 C32 122.9(5) 2_656 . . . ? C31 Li3 Fe2 C32 -13.3(5) . . . . ? C32 Li3 Fe2 C32 170.4(3) 2_656 . . . ? Li2 Li3 Fe2 C32 18.2(6) . . . . ? C25 Li3 Fe2 C32 -115(3) . . . . ? C35 Li3 Fe2 C32 -59.1(4) . . . . ? Li2 Li3 Fe2 C32 83.5(7) 2_656 . . . ? Li3 Li3 Fe2 C32 52.1(7) 2_656 . . . ? C21 Li3 Fe2 C34 135(3) . . . . ? C31 Li3 Fe2 C34 -168.1(5) 2_656 . . . ? C31 Li3 Fe2 C34 55.7(5) . . . . ? C32 Li3 Fe2 C34 -120.7(4) 2_656 . . . ? Li2 Li3 Fe2 C34 87.2(6) . . . . ? C25 Li3 Fe2 C34 -46(3) . . . . ? C35 Li3 Fe2 C34 9.9(5) . . . . ? Li2 Li3 Fe2 C34 152.5(6) 2_656 . . . ? Li3 Li3 Fe2 C34 121.1(6) 2_656 . . . ? C21 Li3 Fe2 C34 -77(3) . . . 2_656 ? C31 Li3 Fe2 C34 -19.3(7) 2_656 . . 2_656 ? C31 Li3 Fe2 C34 -155.5(5) . . . 2_656 ? C32 Li3 Fe2 C34 28.1(6) 2_656 . . 2_656 ? Li2 Li3 Fe2 C34 -124.1(6) . . . 2_656 ? C25 Li3 Fe2 C34 102(3) . . . 2_656 ? C35 Li3 Fe2 C34 158.6(5) . . . 2_656 ? Li2 Li3 Fe2 C34 -58.8(9) 2_656 . . 2_656 ? Li3 Li3 Fe2 C34 -90.2(8) 2_656 . . 2_656 ? C21 Li3 Fe2 C31 -57(3) . . . 2_656 ? C31 Li3 Fe2 C31 -136.2(5) . . . 2_656 ? C32 Li3 Fe2 C31 47.5(5) 2_656 . . 2_656 ? Li2 Li3 Fe2 C31 -104.7(7) . . . 2_656 ? C25 Li3 Fe2 C31 122(3) . . . 2_656 ? C35 Li3 Fe2 C31 178.0(6) . . . 2_656 ? Li2 Li3 Fe2 C31 -39.4(5) 2_656 . . 2_656 ? Li3 Li3 Fe2 C31 -70.8(6) 2_656 . . 2_656 ? C21 Li3 Fe2 C31 79(3) . . . . ? C31 Li3 Fe2 C31 136.2(5) 2_656 . . . ? C32 Li3 Fe2 C31 -176.4(5) 2_656 . . . ? Li2 Li3 Fe2 C31 31.4(5) . . . . ? C25 Li3 Fe2 C31 -102(3) . . . . ? C35 Li3 Fe2 C31 -45.9(4) . . . . ? Li2 Li3 Fe2 C31 96.7(7) 2_656 . . . ? Li3 Li3 Fe2 C31 65.3(7) 2_656 . . . ? C21 Li3 Fe2 Li3 14(2) . . . 2_656 ? C31 Li3 Fe2 Li3 70.8(6) 2_656 . . 2_656 ? C31 Li3 Fe2 Li3 -65.3(7) . . . 2_656 ? C32 Li3 Fe2 Li3 118.3(7) 2_656 . . 2_656 ? Li2 Li3 Fe2 Li3 -33.9(5) . . . 2_656 ? C25 Li3 Fe2 Li3 -168(3) . . . 2_656 ? C35 Li3 Fe2 Li3 -111.2(8) . . . 2_656 ? Li2 Li3 Fe2 Li3 31.4(4) 2_656 . . 2_656 ? N2 Li1 N1 C1 -112.9(6) . . . . ? C11 Li1 N1 C1 4.4(7) . . . . ? C31 Li1 N1 C1 135.4(7) . . . . ? Li2 Li1 N1 C1 62.7(7) . . . . ? N2 Li1 N1 C2 124.5(6) . . . . ? C11 Li1 N1 C2 -118.2(7) . . . . ? C31 Li1 N1 C2 12.9(10) . . . . ? Li2 Li1 N1 C2 -59.9(9) . . . . ? N2 Li1 N1 C3 1.1(7) . . . . ? C11 Li1 N1 C3 118.4(6) . . . . ? C31 Li1 N1 C3 -110.6(7) . . . . ? Li2 Li1 N1 C3 176.7(7) . . . . ? C11 Li1 N2 C5 154.1(7) . . . . ? N1 Li1 N2 C5 -91.7(7) . . . . ? C31 Li1 N2 C5 28.5(9) . . . . ? Li2 Li1 N2 C5 104(3) . . . . ? C11 Li1 N2 C4 -89.0(8) . . . . ? N1 Li1 N2 C4 25.1(7) . . . . ? C31 Li1 N2 C4 145.3(7) . . . . ? Li2 Li1 N2 C4 -139(3) . . . . ? C11 Li1 N2 C6 28.7(10) . . . . ? N1 Li1 N2 C6 142.9(6) . . . . ? C31 Li1 N2 C6 -96.9(8) . . . . ? Li2 Li1 N2 C6 -21(3) . . . . ? C1 N1 C3 C4 81.3(9) . . . . ? C2 N1 C3 C4 -159.3(8) . . . . ? Li1 N1 C3 C4 -27.9(9) . . . . ? C5 N2 C4 C3 65.7(8) . . . . ? C6 N2 C4 C3 -172.3(8) . . . . ? Li1 N2 C4 C3 -49.1(9) . . . . ? N1 C3 C4 N2 56.6(10) . . . . ? C21 Li2 C11 C12 -75.9(8) . . . . ? C21 Li2 C11 C12 55.0(13) 2_656 . . . ? Li1 Li2 C11 C12 140.8(8) . . . . ? Li3 Li2 C11 C12 -127.1(9) . . . . ? Li2 Li2 C11 C12 -52.3(16) 2_656 . . . ? Li3 Li2 C11 C12 152.6(16) 2_656 . . . ? C31 Li2 C11 C12 175.2(6) . . . . ? Fe1 Li2 C11 C12 -63.8(6) . . . . ? C22 Li2 C11 C12 33.4(8) 2_656 . . . ? C21 Li2 C11 C15 39.0(11) . . . . ? C21 Li2 C11 C15 169.9(10) 2_656 . . . ? Li1 Li2 C11 C15 -104.3(9) . . . . ? Li3 Li2 C11 C15 -12.2(13) . . . . ? Li2 Li2 C11 C15 62.6(17) 2_656 . . . ? Li3 Li2 C11 C15 -92.5(17) 2_656 . . . ? C31 Li2 C11 C15 -69.9(10) . . . . ? Fe1 Li2 C11 C15 51.1(8) . . . . ? C22 Li2 C11 C15 148.3(8) 2_656 . . . ? C21 Li2 C11 Fe1 -12.0(5) . . . . ? C21 Li2 C11 Fe1 118.9(12) 2_656 . . . ? Li1 Li2 C11 Fe1 -155.3(6) . . . . ? Li3 Li2 C11 Fe1 -63.3(7) . . . . ? Li2 Li2 C11 Fe1 11.5(13) 2_656 . . . ? Li3 Li2 C11 Fe1 -143.6(17) 2_656 . . . ? C31 Li2 C11 Fe1 -121.0(5) . . . . ? C22 Li2 C11 Fe1 97.3(6) 2_656 . . . ? C21 Li2 C11 Li1 143.3(8) . . . . ? C21 Li2 C11 Li1 -85.8(12) 2_656 . . . ? Li3 Li2 C11 Li1 92.1(8) . . . . ? Li2 Li2 C11 Li1 166.9(15) 2_656 . . . ? Li3 Li2 C11 Li1 11.7(16) 2_656 . . . ? C31 Li2 C11 Li1 34.3(6) . . . . ? Fe1 Li2 C11 Li1 155.3(6) . . . . ? C22 Li2 C11 Li1 -107.4(7) 2_656 . . . ? C14 Fe1 C11 C12 -79.1(5) . . . . ? C13 Fe1 C11 C12 -36.0(5) . . . . ? C22 Fe1 C11 C12 83.1(5) . . . . ? C24 Fe1 C11 C12 -167.1(8) . . . . ? C23 Fe1 C11 C12 54.2(11) . . . . ? C15 Fe1 C11 C12 -114.6(7) . . . . ? C25 Fe1 C11 C12 164.0(4) . . . . ? C21 Fe1 C11 C12 122.1(5) . . . . ? Li2 Fe1 C11 C12 109.0(7) . . . . ? C14 Fe1 C11 C15 35.5(5) . . . . ? C13 Fe1 C11 C15 78.6(6) . . . . ? C22 Fe1 C11 C15 -162.2(5) . . . . ? C24 Fe1 C11 C15 -52.5(11) . . . . ? C23 Fe1 C11 C15 168.8(8) . . . . ? C12 Fe1 C11 C15 114.6(7) . . . . ? C25 Fe1 C11 C15 -81.3(6) . . . . ? C21 Fe1 C11 C15 -123.3(5) . . . . ? Li2 Fe1 C11 C15 -136.3(8) . . . . ? C14 Fe1 C11 Li2 171.9(6) . . . . ? C13 Fe1 C11 Li2 -145.0(6) . . . . ? C22 Fe1 C11 Li2 -25.9(6) . . . . ? C24 Fe1 C11 Li2 83.8(10) . . . . ? C23 Fe1 C11 Li2 -54.9(11) . . . . ? C12 Fe1 C11 Li2 -109.0(7) . . . . ? C15 Fe1 C11 Li2 136.3(8) . . . . ? C25 Fe1 C11 Li2 55.0(6) . . . . ? C21 Fe1 C11 Li2 13.0(6) . . . . ? C14 Fe1 C11 Li1 135.4(9) . . . . ? C13 Fe1 C11 Li1 178.5(9) . . . . ? C22 Fe1 C11 Li1 -62.4(9) . . . . ? C24 Fe1 C11 Li1 47.3(13) . . . . ? C23 Fe1 C11 Li1 -91.3(12) . . . . ? C12 Fe1 C11 Li1 -145.5(10) . . . . ? C15 Fe1 C11 Li1 99.8(10) . . . . ? C25 Fe1 C11 Li1 18.5(9) . . . . ? C21 Fe1 C11 Li1 -23.5(8) . . . . ? Li2 Fe1 C11 Li1 -36.5(8) . . . . ? N2 Li1 C11 C12 110.9(10) . . . . ? N1 Li1 C11 C12 12.5(12) . . . . ? C31 Li1 C11 C12 -123.1(10) . . . . ? Li2 Li1 C11 C12 -83.5(10) . . . . ? N2 Li1 C11 C15 -45.4(9) . . . . ? N1 Li1 C11 C15 -143.7(6) . . . . ? C31 Li1 C11 C15 80.6(7) . . . . ? Li2 Li1 C11 C15 120.3(7) . . . . ? N2 Li1 C11 Li2 -165.7(8) . . . . ? N1 Li1 C11 Li2 96.0(7) . . . . ? C31 Li1 C11 Li2 -39.7(6) . . . . ? N2 Li1 C11 Fe1 -126.9(7) . . . . ? N1 Li1 C11 Fe1 134.8(7) . . . . ? C31 Li1 C11 Fe1 -0.9(10) . . . . ? Li2 Li1 C11 Fe1 38.8(8) . . . . ? C15 C11 C12 C13 -1.9(8) . . . . ? Li2 C11 C12 C13 128.8(6) . . . . ? Fe1 C11 C12 C13 56.9(5) . . . . ? Li1 C11 C12 C13 -159.7(7) . . . . ? C15 C11 C12 Fe1 -58.8(4) . . . . ? Li2 C11 C12 Fe1 71.9(5) . . . . ? Li1 C11 C12 Fe1 143.4(9) . . . . ? C14 Fe1 C12 C11 84.4(5) . . . . ? C13 Fe1 C12 C11 123.3(7) . . . . ? C22 Fe1 C12 C11 -116.7(5) . . . . ? C24 Fe1 C12 C11 165.2(9) . . . . ? C23 Fe1 C12 C11 -158.9(5) . . . . ? C15 Fe1 C12 C11 40.1(5) . . . . ? C25 Fe1 C12 C11 -39.2(10) . . . . ? C21 Fe1 C12 C11 -73.4(5) . . . . ? Li2 Fe1 C12 C11 -50.3(5) . . . . ? C14 Fe1 C12 C13 -38.8(5) . . . . ? C22 Fe1 C12 C13 120.1(5) . . . . ? C24 Fe1 C12 C13 41.9(11) . . . . ? C23 Fe1 C12 C13 77.9(6) . . . . ? C15 Fe1 C12 C13 -83.1(5) . . . . ? C25 Fe1 C12 C13 -162.5(8) . . . . ? C21 Fe1 C12 C13 163.3(5) . . . . ? C11 Fe1 C12 C13 -123.3(7) . . . . ? Li2 Fe1 C12 C13 -173.5(6) . . . . ? C11 C12 C13 C14 1.8(8) . . . . ? Fe1 C12 C13 C14 60.5(5) . . . . ? C11 C12 C13 Fe1 -58.7(5) . . . . ? C22 Fe1 C13 C14 162.4(5) . . . . ? C24 Fe1 C13 C14 78.7(6) . . . . ? C23 Fe1 C13 C14 121.2(5) . . . . ? C12 Fe1 C13 C14 -116.5(7) . . . . ? C15 Fe1 C13 C14 -38.0(5) . . . . ? C25 Fe1 C13 C14 45.7(11) . . . . ? C21 Fe1 C13 C14 -157.8(8) . . . . ? C11 Fe1 C13 C14 -81.4(5) . . . . ? Li2 Fe1 C13 C14 -109.9(6) . . . . ? C14 Fe1 C13 C12 116.5(7) . . . . ? C22 Fe1 C13 C12 -81.0(6) . . . . ? C24 Fe1 C13 C12 -164.7(5) . . . . ? C23 Fe1 C13 C12 -122.2(5) . . . . ? C15 Fe1 C13 C12 78.5(5) . . . . ? C25 Fe1 C13 C12 162.2(8) . . . . ? C21 Fe1 C13 C12 -41.2(10) . . . . ? C11 Fe1 C13 C12 35.2(5) . . . . ? Li2 Fe1 C13 C12 6.6(6) . . . . ? C12 C13 C14 C15 -0.8(7) . . . . ? Fe1 C13 C14 C15 60.1(5) . . . . ? C12 C13 C14 Fe1 -60.9(5) . . . . ? C13 Fe1 C14 C15 -118.7(7) . . . . ? C22 Fe1 C14 C15 -165.9(9) . . . . ? C24 Fe1 C14 C15 121.1(5) . . . . ? C23 Fe1 C14 C15 163.3(5) . . . . ? C12 Fe1 C14 C15 -78.9(5) . . . . ? C25 Fe1 C14 C15 79.5(6) . . . . ? C21 Fe1 C14 C15 38.5(11) . . . . ? C11 Fe1 C14 C15 -35.4(5) . . . . ? Li2 Fe1 C14 C15 -28.2(7) . . . . ? C22 Fe1 C14 C13 -47.2(12) . . . . ? C24 Fe1 C14 C13 -120.1(6) . . . . ? C23 Fe1 C14 C13 -78.0(6) . . . . ? C12 Fe1 C14 C13 39.8(5) . . . . ? C15 Fe1 C14 C13 118.7(7) . . . . ? C25 Fe1 C14 C13 -161.8(5) . . . . ? C21 Fe1 C14 C13 157.2(9) . . . . ? C11 Fe1 C14 C13 83.3(5) . . . . ? Li2 Fe1 C14 C13 90.5(7) . . . . ? C13 C14 C15 C11 -0.4(8) . . . . ? Fe1 C14 C15 C11 59.8(5) . . . . ? C13 C14 C15 Fe1 -60.2(5) . . . . ? C12 C11 C15 C14 1.4(8) . . . . ? Li2 C11 C15 C14 -113.9(9) . . . . ? Fe1 C11 C15 C14 -57.9(5) . . . . ? Li1 C11 C15 C14 166.7(5) . . . . ? C12 C11 C15 Fe1 59.3(5) . . . . ? Li2 C11 C15 Fe1 -56.0(8) . . . . ? Li1 C11 C15 Fe1 -135.5(5) . . . . ? C13 Fe1 C15 C14 37.8(5) . . . . ? C22 Fe1 C15 C14 167.2(8) . . . . ? C24 Fe1 C15 C14 -78.0(6) . . . . ? C23 Fe1 C15 C14 -44.8(13) . . . . ? C12 Fe1 C15 C14 83.0(5) . . . . ? C25 Fe1 C15 C14 -119.6(5) . . . . ? C21 Fe1 C15 C14 -164.5(5) . . . . ? C11 Fe1 C15 C14 123.2(7) . . . . ? Li2 Fe1 C15 C14 155.6(6) . . . . ? C14 Fe1 C15 C11 -123.2(7) . . . . ? C13 Fe1 C15 C11 -85.3(6) . . . . ? C22 Fe1 C15 C11 44.0(12) . . . . ? C24 Fe1 C15 C11 158.8(6) . . . . ? C23 Fe1 C15 C11 -167.9(10) . . . . ? C12 Fe1 C15 C11 -40.1(5) . . . . ? C25 Fe1 C15 C11 117.2(5) . . . . ? C21 Fe1 C15 C11 72.3(6) . . . . ? Li2 Fe1 C15 C11 32.4(6) . . . . ? C31 Li3 C21 C22 -38(5) 2_656 . . . ? C31 Li3 C21 C22 74(5) . . . . ? C32 Li3 C21 C22 -77(5) 2_656 . . . ? Li2 Li3 C21 C22 64(4) . . . . ? C25 Li3 C21 C22 -170(5) . . . . ? C35 Li3 C21 C22 115(4) . . . . ? Fe2 Li3 C21 C22 9(7) . . . . ? Li2 Li3 C21 C22 -12(4) 2_656 . . . ? Li3 Li3 C21 C22 21(5) 2_656 . . . ? C31 Li3 C21 C25 132.4(9) 2_656 . . . ? C31 Li3 C21 C25 -115.9(7) . . . . ? C32 Li3 C21 C25 92.9(10) 2_656 . . . ? Li2 Li3 C21 C25 -125.7(5) . . . . ? C35 Li3 C21 C25 -75.2(13) . . . . ? Fe2 Li3 C21 C25 179(3) . . . . ? Li2 Li3 C21 C25 158.5(5) 2_656 . . . ? Li3 Li3 C21 C25 -168.7(9) 2_656 . . . ? C31 Li3 C21 Fe1 -163.9(7) 2_656 . . . ? C31 Li3 C21 Fe1 -52.2(9) . . . . ? C32 Li3 C21 Fe1 156.7(7) 2_656 . . . ? Li2 Li3 C21 Fe1 -61.9(5) . . . . ? C25 Li3 C21 Fe1 63.8(5) . . . . ? C35 Li3 C21 Fe1 -11.5(16) . . . . ? Fe2 Li3 C21 Fe1 -117(2) . . . . ? Li2 Li3 C21 Fe1 -137.7(6) 2_656 . . . ? Li3 Li3 C21 Fe1 -105.0(8) 2_656 . . . ? C31 Li3 C21 Li2 -102.0(9) 2_656 . . . ? C31 Li3 C21 Li2 9.7(7) . . . . ? C32 Li3 C21 Li2 -141.4(11) 2_656 . . . ? C25 Li3 C21 Li2 125.7(5) . . . . ? C35 Li3 C21 Li2 50.4(12) . . . . ? Fe2 Li3 C21 Li2 -55(3) . . . . ? Li2 Li3 C21 Li2 -75.8(5) 2_656 . . . ? Li3 Li3 C21 Li2 -43.1(8) 2_656 . . . ? C31 Li3 C21 Li2 -26.2(8) 2_656 . . 2_656 ? C31 Li3 C21 Li2 85.5(7) . . . 2_656 ? C32 Li3 C21 Li2 -65.6(10) 2_656 . . 2_656 ? Li2 Li3 C21 Li2 75.8(5) . . . 2_656 ? C25 Li3 C21 Li2 -158.5(5) . . . 2_656 ? C35 Li3 C21 Li2 126.2(13) . . . 2_656 ? Fe2 Li3 C21 Li2 21(3) . . . 2_656 ? Li3 Li3 C21 Li2 32.7(8) 2_656 . . 2_656 ? C14 Fe1 C21 C22 167.5(8) . . . . ? C13 Fe1 C21 C22 -54.6(11) . . . . ? C24 Fe1 C21 C22 77.5(5) . . . . ? C23 Fe1 C21 C22 34.1(5) . . . . ? C12 Fe1 C21 C22 -85.1(6) . . . . ? C15 Fe1 C21 C22 -164.2(5) . . . . ? C25 Fe1 C21 C22 112.9(7) . . . . ? C11 Fe1 C21 C22 -124.8(5) . . . . ? Li2 Fe1 C21 C22 -112.4(7) . . . . ? C14 Fe1 C21 C25 54.5(11) . . . . ? C13 Fe1 C21 C25 -167.5(8) . . . . ? C22 Fe1 C21 C25 -112.9(7) . . . . ? C24 Fe1 C21 C25 -35.4(5) . . . . ? C23 Fe1 C21 C25 -78.8(5) . . . . ? C12 Fe1 C21 C25 162.0(5) . . . . ? C15 Fe1 C21 C25 82.9(5) . . . . ? C11 Fe1 C21 C25 122.3(5) . . . . ? Li2 Fe1 C21 C25 134.7(7) . . . . ? C14 Fe1 C21 Li3 -21.2(13) . . . . ? C13 Fe1 C21 Li3 116.7(10) . . . . ? C22 Fe1 C21 Li3 171.3(10) . . . . ? C24 Fe1 C21 Li3 -111.1(8) . . . . ? C23 Fe1 C21 Li3 -154.6(8) . . . . ? C12 Fe1 C21 Li3 86.2(8) . . . . ? C15 Fe1 C21 Li3 7.1(8) . . . . ? C25 Fe1 C21 Li3 -75.8(8) . . . . ? C11 Fe1 C21 Li3 46.5(8) . . . . ? Li2 Fe1 C21 Li3 58.9(8) . . . . ? C14 Fe1 C21 Li2 -80.1(10) . . . . ? C13 Fe1 C21 Li2 57.8(10) . . . . ? C22 Fe1 C21 Li2 112.4(7) . . . . ? C24 Fe1 C21 Li2 -170.1(6) . . . . ? C23 Fe1 C21 Li2 146.5(6) . . . . ? C12 Fe1 C21 Li2 27.3(6) . . . . ? C15 Fe1 C21 Li2 -51.8(6) . . . . ? C25 Fe1 C21 Li2 -134.7(7) . . . . ? C11 Fe1 C21 Li2 -12.4(5) . . . . ? C14 Fe1 C21 Li2 -120.5(11) . . . 2_656 ? C13 Fe1 C21 Li2 17.4(14) . . . 2_656 ? C22 Fe1 C21 Li2 72.0(9) . . . 2_656 ? C24 Fe1 C21 Li2 149.6(9) . . . 2_656 ? C23 Fe1 C21 Li2 106.1(9) . . . 2_656 ? C12 Fe1 C21 Li2 -13.0(10) . . . 2_656 ? C15 Fe1 C21 Li2 -92.1(9) . . . 2_656 ? C25 Fe1 C21 Li2 -175.0(11) . . . 2_656 ? C11 Fe1 C21 Li2 -52.7(9) . . . 2_656 ? Li2 Fe1 C21 Li2 -40.4(6) . . . 2_656 ? C11 Li2 C21 C22 74.8(8) . . . . ? C21 Li2 C21 C22 -75.9(8) 2_656 . . . ? Li1 Li2 C21 C22 124.0(11) . . . . ? Li3 Li2 C21 C22 -170.7(7) . . . . ? Li2 Li2 C21 C22 -90.9(6) 2_656 . . . ? Li3 Li2 C21 C22 -126.3(7) 2_656 . . . ? C31 Li2 C21 C22 -178.3(5) . . . . ? Fe1 Li2 C21 C22 62.5(5) . . . . ? C22 Li2 C21 C22 -43.8(7) 2_656 . . . ? C11 Li2 C21 C25 -39.2(11) . . . . ? C21 Li2 C21 C25 170.1(6) 2_656 . . . ? Li1 Li2 C21 C25 10.0(15) . . . . ? Li3 Li2 C21 C25 75.3(8) . . . . ? Li2 Li2 C21 C25 155.1(10) 2_656 . . . ? Li3 Li2 C21 C25 119.7(8) 2_656 . . . ? C31 Li2 C21 C25 67.7(8) . . . . ? Fe1 Li2 C21 C25 -51.5(7) . . . . ? C22 Li2 C21 C25 -157.8(7) 2_656 . . . ? C11 Li2 C21 Li3 -114.5(7) . . . . ? C21 Li2 C21 Li3 94.8(7) 2_656 . . . ? Li1 Li2 C21 Li3 -65.3(11) . . . . ? Li2 Li2 C21 Li3 79.8(5) 2_656 . . . ? Li3 Li2 C21 Li3 44.5(7) 2_656 . . . ? C31 Li2 C21 Li3 -7.6(5) . . . . ? Fe1 Li2 C21 Li3 -126.8(5) . . . . ? C22 Li2 C21 Li3 126.9(6) 2_656 . . . ? C11 Li2 C21 Fe1 12.3(5) . . . . ? C21 Li2 C21 Fe1 -138.4(6) 2_656 . . . ? Li1 Li2 C21 Fe1 61.5(10) . . . . ? Li3 Li2 C21 Fe1 126.8(5) . . . . ? Li2 Li2 C21 Fe1 -153.4(4) 2_656 . . . ? Li3 Li2 C21 Fe1 171.2(6) 2_656 . . . ? C31 Li2 C21 Fe1 119.2(4) . . . . ? C22 Li2 C21 Fe1 -106.3(5) 2_656 . . . ? C11 Li2 C21 Li2 165.7(4) . . . 2_656 ? C21 Li2 C21 Li2 15.0(9) 2_656 . . 2_656 ? Li1 Li2 C21 Li2 -145.1(8) . . . 2_656 ? Li3 Li2 C21 Li2 -79.8(5) . . . 2_656 ? Li3 Li2 C21 Li2 -35.4(8) 2_656 . . 2_656 ? C31 Li2 C21 Li2 -87.4(5) . . . 2_656 ? Fe1 Li2 C21 Li2 153.4(4) . . . 2_656 ? C22 Li2 C21 Li2 47.1(7) 2_656 . . 2_656 ? C25 C21 C22 C23 2.7(8) . . . . ? Li3 C21 C22 C23 173(4) . . . . ? Fe1 C21 C22 C23 -57.5(5) . . . . ? Li2 C21 C22 C23 -125.9(7) . . . . ? Li2 C21 C22 C23 161.4(6) 2_656 . . . ? C25 C21 C22 Fe1 60.2(4) . . . . ? Li3 C21 C22 Fe1 -130(4) . . . . ? Li2 C21 C22 Fe1 -68.3(4) . . . . ? Li2 C21 C22 Fe1 -141.0(4) 2_656 . . . ? C25 C21 C22 Li2 -158.7(6) . . . 2_656 ? Li3 C21 C22 Li2 11(4) . . . 2_656 ? Fe1 C21 C22 Li2 141.0(4) . . . 2_656 ? Li2 C21 C22 Li2 72.7(5) . . . 2_656 ? C14 Fe1 C22 C23 -41.5(12) . . . . ? C13 Fe1 C22 C23 -76.7(7) . . . . ? C24 Fe1 C22 C23 38.7(6) . . . . ? C12 Fe1 C22 C23 -120.8(6) . . . . ? C15 Fe1 C22 C23 163.8(9) . . . . ? C25 Fe1 C22 C23 82.4(6) . . . . ? C21 Fe1 C22 C23 125.0(8) . . . . ? C11 Fe1 C22 C23 -164.0(5) . . . . ? Li2 Fe1 C22 C23 175.7(6) . . . . ? C14 Fe1 C22 C21 -166.5(9) . . . . ? C13 Fe1 C22 C21 158.3(5) . . . . ? C24 Fe1 C22 C21 -86.3(6) . . . . ? C23 Fe1 C22 C21 -125.0(8) . . . . ? C12 Fe1 C22 C21 114.2(6) . . . . ? C15 Fe1 C22 C21 38.8(12) . . . . ? C25 Fe1 C22 C21 -42.6(5) . . . . ? C11 Fe1 C22 C21 70.9(6) . . . . ? Li2 Fe1 C22 C21 50.6(6) . . . . ? C14 Fe1 C22 Li2 159.9(8) . . . 2_656 ? C13 Fe1 C22 Li2 124.7(5) . . . 2_656 ? C24 Fe1 C22 Li2 -119.9(6) . . . 2_656 ? C23 Fe1 C22 Li2 -158.6(8) . . . 2_656 ? C12 Fe1 C22 Li2 80.6(5) . . . 2_656 ? C15 Fe1 C22 Li2 5.2(12) . . . 2_656 ? C25 Fe1 C22 Li2 -76.2(5) . . . 2_656 ? C21 Fe1 C22 Li2 -33.6(5) . . . 2_656 ? C11 Fe1 C22 Li2 37.4(6) . . . 2_656 ? Li2 Fe1 C22 Li2 17.1(5) . . . 2_656 ? C21 C22 C23 C24 -1.8(8) . . . . ? Fe1 C22 C23 C24 -60.0(5) . . . . ? Li2 C22 C23 C24 45.8(19) 2_656 . . . ? C21 C22 C23 Fe1 58.3(5) . . . . ? Li2 C22 C23 Fe1 105.9(17) 2_656 . . . ? C14 Fe1 C23 C22 164.3(5) . . . . ? C13 Fe1 C23 C22 122.4(6) . . . . ? C24 Fe1 C23 C22 -117.8(7) . . . . ? C12 Fe1 C23 C22 79.4(6) . . . . ? C15 Fe1 C23 C22 -162.2(10) . . . . ? C25 Fe1 C23 C22 -80.1(5) . . . . ? C21 Fe1 C23 C22 -34.4(6) . . . . ? C11 Fe1 C23 C22 39.6(12) . . . . ? Li2 Fe1 C23 C22 -4.7(7) . . . . ? C14 Fe1 C23 C24 -77.9(6) . . . . ? C13 Fe1 C23 C24 -119.8(5) . . . . ? C22 Fe1 C23 C24 117.8(7) . . . . ? C12 Fe1 C23 C24 -162.7(5) . . . . ? C15 Fe1 C23 C24 -44.3(12) . . . . ? C25 Fe1 C23 C24 37.7(5) . . . . ? C21 Fe1 C23 C24 83.5(5) . . . . ? C11 Fe1 C23 C24 157.5(9) . . . . ? Li2 Fe1 C23 C24 113.2(6) . . . . ? C22 C23 C24 C25 -0.1(8) . . . . ? Fe1 C23 C24 C25 -60.2(5) . . . . ? C22 C23 C24 Fe1 60.1(5) . . . . ? C14 Fe1 C24 C23 121.4(5) . . . . ? C13 Fe1 C24 C23 79.5(6) . . . . ? C22 Fe1 C24 C23 -38.0(5) . . . . ? C12 Fe1 C24 C23 47.6(11) . . . . ? C15 Fe1 C24 C23 163.5(5) . . . . ? C25 Fe1 C24 C23 -118.6(6) . . . . ? C21 Fe1 C24 C23 -81.2(5) . . . . ? C11 Fe1 C24 C23 -158.3(8) . . . . ? Li2 Fe1 C24 C23 -90.9(6) . . . . ? C14 Fe1 C24 C25 -120.0(5) . . . . ? C13 Fe1 C24 C25 -161.9(5) . . . . ? C22 Fe1 C24 C25 80.6(5) . . . . ? C23 Fe1 C24 C25 118.6(6) . . . . ? C12 Fe1 C24 C25 166.2(8) . . . . ? C15 Fe1 C24 C25 -77.9(5) . . . . ? C21 Fe1 C24 C25 37.4(5) . . . . ? C11 Fe1 C24 C25 -39.7(11) . . . . ? Li2 Fe1 C24 C25 27.7(7) . . . . ? C23 C24 C25 C21 1.8(8) . . . . ? Fe1 C24 C25 C21 -57.9(5) . . . . ? C23 C24 C25 Fe1 59.7(5) . . . . ? C23 C24 C25 Li3 5(3) . . . . ? Fe1 C24 C25 Li3 -55(2) . . . . ? C22 C21 C25 C24 -2.7(8) . . . . ? Li3 C21 C25 C24 179.0(7) . . . . ? Fe1 C21 C25 C24 57.8(5) . . . . ? Li2 C21 C25 C24 113.2(8) . . . . ? Li2 C21 C25 C24 -129.4(14) 2_656 . . . ? C22 C21 C25 Fe1 -60.5(5) . . . . ? Li3 C21 C25 Fe1 121.2(6) . . . . ? Li2 C21 C25 Fe1 55.3(7) . . . . ? Li2 C21 C25 Fe1 172.7(15) 2_656 . . . ? C22 C21 C25 Li3 178.3(8) . . . . ? Fe1 C21 C25 Li3 -121.2(6) . . . . ? Li2 C21 C25 Li3 -65.9(8) . . . . ? Li2 C21 C25 Li3 51.5(15) 2_656 . . . ? C14 Fe1 C25 C24 78.7(6) . . . . ? C13 Fe1 C25 C24 45.2(11) . . . . ? C22 Fe1 C25 C24 -81.7(5) . . . . ? C23 Fe1 C25 C24 -38.2(5) . . . . ? C12 Fe1 C25 C24 -167.8(8) . . . . ? C15 Fe1 C25 C24 121.1(5) . . . . ? C21 Fe1 C25 C24 -122.1(7) . . . . ? C11 Fe1 C25 C24 163.5(5) . . . . ? Li2 Fe1 C25 C24 -157.3(5) . . . . ? C14 Fe1 C25 C21 -159.2(5) . . . . ? C13 Fe1 C25 C21 167.3(8) . . . . ? C22 Fe1 C25 C21 40.4(5) . . . . ? C24 Fe1 C25 C21 122.1(7) . . . . ? C23 Fe1 C25 C21 83.8(5) . . . . ? C12 Fe1 C25 C21 -45.7(10) . . . . ? C15 Fe1 C25 C21 -116.8(5) . . . . ? C11 Fe1 C25 C21 -74.4(5) . . . . ? Li2 Fe1 C25 C21 -35.2(5) . . . . ? C14 Fe1 C25 Li3 -114.2(5) . . . . ? C13 Fe1 C25 Li3 -147.7(9) . . . . ? C22 Fe1 C25 Li3 85.4(5) . . . . ? C24 Fe1 C25 Li3 167.2(7) . . . . ? C23 Fe1 C25 Li3 128.9(5) . . . . ? C12 Fe1 C25 Li3 -0.6(10) . . . . ? C15 Fe1 C25 Li3 -71.8(5) . . . . ? C21 Fe1 C25 Li3 45.1(5) . . . . ? C11 Fe1 C25 Li3 -29.3(5) . . . . ? Li2 Fe1 C25 Li3 9.9(5) . . . . ? C21 Li3 C25 C24 -3(3) . . . . ? C31 Li3 C25 C24 -76(3) 2_656 . . . ? C31 Li3 C25 C24 90(2) . . . . ? C32 Li3 C25 C24 -121(2) 2_656 . . . ? Li2 Li3 C25 C24 41(3) . . . . ? C35 Li3 C25 C24 131(2) . . . . ? Fe2 Li3 C25 C24 177(2) . . . . ? Li2 Li3 C25 C24 -21(3) 2_656 . . . ? Li3 Li3 C25 C24 13(4) 2_656 . . . ? C31 Li3 C25 C21 -72.1(11) 2_656 . . . ? C31 Li3 C25 C21 93.2(11) . . . . ? C32 Li3 C25 C21 -117.7(9) 2_656 . . . ? Li2 Li3 C25 C21 44.1(5) . . . . ? C35 Li3 C25 C21 134.5(11) . . . . ? Fe2 Li3 C25 C21 -179(3) . . . . ? Li2 Li3 C25 C21 -17.6(5) 2_656 . . . ? Li3 Li3 C25 C21 16.6(13) 2_656 . . . ? C21 Li3 C25 Fe1 -54.9(5) . . . . ? C31 Li3 C25 Fe1 -127.0(11) 2_656 . . . ? C31 Li3 C25 Fe1 38.3(10) . . . . ? C32 Li3 C25 Fe1 -172.5(6) 2_656 . . . ? Li2 Li3 C25 Fe1 -10.7(5) . . . . ? C35 Li3 C25 Fe1 79.6(9) . . . . ? Fe2 Li3 C25 Fe1 126(3) . . . . ? Li2 Li3 C25 Fe1 -72.5(6) 2_656 . . . ? Li3 Li3 C25 Fe1 -38.2(16) 2_656 . . . ? C33 Fe2 C31 C32 35.8(5) . . . . ? C33 Fe2 C31 C32 165.0(11) 2_656 . . . ? C35 Fe2 C31 C32 -82.1(6) 2_656 . . . ? C35 Fe2 C31 C32 114.4(7) . . . . ? C32 Fe2 C31 C32 -163.6(5) 2_656 . . . ? C34 Fe2 C31 C32 78.7(6) . . . . ? C34 Fe2 C31 C32 -51.0(13) 2_656 . . . ? C31 Fe2 C31 C32 -122.9(6) 2_656 . . . ? Li3 Fe2 C31 C32 -159.8(7) . . . . ? Li3 Fe2 C31 C32 -84.3(7) 2_656 . . . ? C33 Fe2 C31 C35 -78.5(6) . . . . ? C33 Fe2 C31 C35 50.6(13) 2_656 . . . ? C35 Fe2 C31 C35 163.5(5) 2_656 . . . ? C32 Fe2 C31 C35 82.1(6) 2_656 . . . ? C32 Fe2 C31 C35 -114.4(7) . . . . ? C34 Fe2 C31 C35 -35.7(6) . . . . ? C34 Fe2 C31 C35 -165.3(11) 2_656 . . . ? C31 Fe2 C31 C35 122.7(6) 2_656 . . . ? Li3 Fe2 C31 C35 85.9(7) . . . . ? Li3 Fe2 C31 C35 161.3(8) 2_656 . . . ? C33 Fe2 C31 Li3 120.1(6) . . . 2_656 ? C33 Fe2 C31 Li3 -110.7(12) 2_656 . . 2_656 ? C35 Fe2 C31 Li3 2.2(7) 2_656 . . 2_656 ? C35 Fe2 C31 Li3 -161.3(8) . . . 2_656 ? C32 Fe2 C31 Li3 -79.3(6) 2_656 . . 2_656 ? C32 Fe2 C31 Li3 84.3(7) . . . 2_656 ? C34 Fe2 C31 Li3 163.0(6) . . . 2_656 ? C34 Fe2 C31 Li3 33.3(13) 2_656 . . 2_656 ? C31 Fe2 C31 Li3 -38.6(5) 2_656 . . 2_656 ? Li3 Fe2 C31 Li3 -75.5(8) . . . 2_656 ? C33 Fe2 C31 Li3 -164.4(5) . . . . ? C33 Fe2 C31 Li3 -35.2(12) 2_656 . . . ? C35 Fe2 C31 Li3 77.7(5) 2_656 . . . ? C35 Fe2 C31 Li3 -85.9(7) . . . . ? C32 Fe2 C31 Li3 -3.8(6) 2_656 . . . ? C32 Fe2 C31 Li3 159.8(7) . . . . ? C34 Fe2 C31 Li3 -121.5(5) . . . . ? C34 Fe2 C31 Li3 108.8(12) 2_656 . . . ? C31 Fe2 C31 Li3 36.9(4) 2_656 . . . ? Li3 Fe2 C31 Li3 75.5(8) 2_656 . . . ? C33 Fe2 C31 Li1 155(9) . . . . ? C33 Fe2 C31 Li1 -76(9) 2_656 . . . ? C35 Fe2 C31 Li1 37(9) 2_656 . . . ? C35 Fe2 C31 Li1 -126(9) . . . . ? C32 Fe2 C31 Li1 -44(9) 2_656 . . . ? C32 Fe2 C31 Li1 119(9) . . . . ? C34 Fe2 C31 Li1 -162(9) . . . . ? C34 Fe2 C31 Li1 68(9) 2_656 . . . ? C31 Fe2 C31 Li1 -4(9) 2_656 . . . ? Li3 Fe2 C31 Li1 -40(9) . . . . ? Li3 Fe2 C31 Li1 35(9) 2_656 . . . ? C33 Fe2 C31 Li2 163.7(7) . . . . ? C33 Fe2 C31 Li2 -67.2(13) 2_656 . . . ? C35 Fe2 C31 Li2 45.7(7) 2_656 . . . ? C35 Fe2 C31 Li2 -117.8(9) . . . . ? C32 Fe2 C31 Li2 -35.7(7) 2_656 . . . ? C32 Fe2 C31 Li2 127.8(8) . . . . ? C34 Fe2 C31 Li2 -153.5(7) . . . . ? C34 Fe2 C31 Li2 76.9(13) 2_656 . . . ? C31 Fe2 C31 Li2 4.9(4) 2_656 . . . ? Li3 Fe2 C31 Li2 -31.9(6) . . . . ? Li3 Fe2 C31 Li2 43.5(6) 2_656 . . . ? C21 Li3 C31 C32 -130.2(10) . . . . ? C31 Li3 C31 C32 -6.4(13) 2_656 . . . ? C32 Li3 C31 C32 29.0(13) 2_656 . . . ? Li2 Li3 C31 C32 -121.1(11) . . . . ? C25 Li3 C31 C32 -176.3(9) . . . . ? C35 Li3 C31 C32 96.6(11) . . . . ? Fe2 Li3 C31 C32 26.2(10) . . . . ? Li2 Li3 C31 C32 -71.7(13) 2_656 . . . ? Li3 Li3 C31 C32 -51.2(10) 2_656 . . . ? C21 Li3 C31 C35 133.2(8) . . . . ? C31 Li3 C31 C35 -103.1(6) 2_656 . . . ? C32 Li3 C31 C35 -67.7(6) 2_656 . . . ? Li2 Li3 C31 C35 142.2(6) . . . . ? C25 Li3 C31 C35 87.0(10) . . . . ? Fe2 Li3 C31 C35 -70.4(5) . . . . ? Li2 Li3 C31 C35 -168.3(8) 2_656 . . . ? Li3 Li3 C31 C35 -147.8(7) 2_656 . . . ? C21 Li3 C31 Fe2 -156.4(8) . . . . ? C31 Li3 C31 Fe2 -32.6(5) 2_656 . . . ? C32 Li3 C31 Fe2 2.7(4) 2_656 . . . ? Li2 Li3 C31 Fe2 -147.4(5) . . . . ? C25 Li3 C31 Fe2 157.5(10) . . . . ? C35 Li3 C31 Fe2 70.4(5) . . . . ? Li2 Li3 C31 Fe2 -97.9(6) 2_656 . . . ? Li3 Li3 C31 Fe2 -77.4(5) 2_656 . . . ? C21 Li3 C31 Li3 -79.0(7) . . . 2_656 ? C31 Li3 C31 Li3 44.8(8) 2_656 . . 2_656 ? C32 Li3 C31 Li3 80.2(7) 2_656 . . 2_656 ? Li2 Li3 C31 Li3 -69.9(5) . . . 2_656 ? C25 Li3 C31 Li3 -125.1(8) . . . 2_656 ? C35 Li3 C31 Li3 147.8(7) . . . 2_656 ? Fe2 Li3 C31 Li3 77.4(5) . . . 2_656 ? Li2 Li3 C31 Li3 -20.5(8) 2_656 . . 2_656 ? C21 Li3 C31 Li1 20.7(9) . . . . ? C31 Li3 C31 Li1 144.5(7) 2_656 . . . ? C32 Li3 C31 Li1 179.9(6) 2_656 . . . ? Li2 Li3 C31 Li1 29.8(5) . . . . ? C25 Li3 C31 Li1 -25.4(11) . . . . ? C35 Li3 C31 Li1 -112.5(7) . . . . ? Fe2 Li3 C31 Li1 177.1(6) . . . . ? Li2 Li3 C31 Li1 79.2(7) 2_656 . . . ? Li3 Li3 C31 Li1 99.7(7) 2_656 . . . ? C21 Li3 C31 Li2 -9.1(6) . . . . ? C31 Li3 C31 Li2 114.7(7) 2_656 . . . ? C32 Li3 C31 Li2 150.1(6) 2_656 . . . ? C25 Li3 C31 Li2 -55.2(9) . . . . ? C35 Li3 C31 Li2 -142.2(6) . . . . ? Fe2 Li3 C31 Li2 147.4(5) . . . . ? Li2 Li3 C31 Li2 49.5(7) 2_656 . . . ? Li3 Li3 C31 Li2 69.9(5) 2_656 . . . ? N2 Li1 C31 C32 -69.5(9) . . . . ? C11 Li1 C31 C32 161.2(7) . . . . ? N1 Li1 C31 C32 28.7(10) . . . . ? Li2 Li1 C31 C32 126.7(8) . . . . ? N2 Li1 C31 C35 47.9(10) . . . . ? C11 Li1 C31 C35 -81.4(9) . . . . ? N1 Li1 C31 C35 146.1(8) . . . . ? Li2 Li1 C31 C35 -115.9(8) . . . . ? N2 Li1 C31 Fe2 173(9) . . . . ? C11 Li1 C31 Fe2 43(9) . . . . ? N1 Li1 C31 Fe2 -89(9) . . . . ? Li2 Li1 C31 Fe2 9(9) . . . . ? N2 Li1 C31 Li3 -153.0(7) . . . 2_656 ? C11 Li1 C31 Li3 77.7(8) . . . 2_656 ? N1 Li1 C31 Li3 -54.7(9) . . . 2_656 ? Li2 Li1 C31 Li3 43.2(7) . . . 2_656 ? N2 Li1 C31 Li3 133.2(6) . . . . ? C11 Li1 C31 Li3 3.9(8) . . . . ? N1 Li1 C31 Li3 -128.6(7) . . . . ? Li2 Li1 C31 Li3 -30.6(6) . . . . ? N2 Li1 C31 Li2 163.8(8) . . . . ? C11 Li1 C31 Li2 34.5(5) . . . . ? N1 Li1 C31 Li2 -97.9(7) . . . . ? C11 Li2 C31 C32 -126.9(8) . . . . ? C21 Li2 C31 C32 129.3(8) . . . . ? C21 Li2 C31 C32 20.2(9) 2_656 . . . ? Li1 Li2 C31 C32 -92.5(9) . . . . ? Li3 Li2 C31 C32 122.2(9) . . . . ? Li2 Li2 C31 C32 74.9(10) 2_656 . . . ? Li3 Li2 C31 C32 39.6(9) 2_656 . . . ? Fe1 Li2 C31 C32 -178.9(7) . . . . ? C22 Li2 C31 C32 8.9(11) 2_656 . . . ? C11 Li2 C31 C35 64.4(8) . . . . ? C21 Li2 C31 C35 -39.4(8) . . . . ? C21 Li2 C31 C35 -148.5(6) 2_656 . . . ? Li1 Li2 C31 C35 98.7(7) . . . . ? Li3 Li2 C31 C35 -46.6(7) . . . . ? Li2 Li2 C31 C35 -93.8(8) 2_656 . . . ? Li3 Li2 C31 C35 -129.2(8) 2_656 . . . ? Fe1 Li2 C31 C35 12.4(8) . . . . ? C22 Li2 C31 C35 -159.8(6) 2_656 . . . ? C11 Li2 C31 Fe2 146.4(6) . . . . ? C21 Li2 C31 Fe2 42.6(7) . . . . ? C21 Li2 C31 Fe2 -66.5(7) 2_656 . . . ? Li1 Li2 C31 Fe2 -179.3(7) . . . . ? Li3 Li2 C31 Fe2 35.4(6) . . . . ? Li2 Li2 C31 Fe2 -11.8(9) 2_656 . . . ? Li3 Li2 C31 Fe2 -47.2(7) 2_656 . . . ? Fe1 Li2 C31 Fe2 94.4(6) . . . . ? C22 Li2 C31 Fe2 -77.8(8) 2_656 . . . ? C11 Li2 C31 Li3 -166.5(8) . . . 2_656 ? C21 Li2 C31 Li3 89.7(7) . . . 2_656 ? C21 Li2 C31 Li3 -19.3(6) 2_656 . . 2_656 ? Li1 Li2 C31 Li3 -132.1(8) . . . 2_656 ? Li3 Li2 C31 Li3 82.6(7) . . . 2_656 ? Li2 Li2 C31 Li3 35.3(8) 2_656 . . 2_656 ? Fe1 Li2 C31 Li3 141.6(7) . . . 2_656 ? C22 Li2 C31 Li3 -30.6(7) 2_656 . . 2_656 ? C11 Li2 C31 Li3 111.0(7) . . . . ? C21 Li2 C31 Li3 7.2(5) . . . . ? C21 Li2 C31 Li3 -101.9(5) 2_656 . . . ? Li1 Li2 C31 Li3 145.3(7) . . . . ? Li2 Li2 C31 Li3 -47.3(6) 2_656 . . . ? Li3 Li2 C31 Li3 -82.6(7) 2_656 . . . ? Fe1 Li2 C31 Li3 59.0(6) . . . . ? C22 Li2 C31 Li3 -113.2(6) 2_656 . . . ? C11 Li2 C31 Li1 -34.4(6) . . . . ? C21 Li2 C31 Li1 -138.2(7) . . . . ? C21 Li2 C31 Li1 112.8(6) 2_656 . . . ? Li3 Li2 C31 Li1 -145.3(7) . . . . ? Li2 Li2 C31 Li1 167.4(9) 2_656 . . . ? Li3 Li2 C31 Li1 132.1(8) 2_656 . . . ? Fe1 Li2 C31 Li1 -86.3(6) . . . . ? C22 Li2 C31 Li1 101.5(7) 2_656 . . . ? C35 C31 C32 C33 2.1(9) . . . . ? Fe2 C31 C32 C33 -57.7(6) . . . . ? Li3 C31 C32 C33 -132.8(8) 2_656 . . . ? Li3 C31 C32 C33 -84.2(12) . . . . ? Li1 C31 C32 C33 126.3(7) . . . . ? Li2 C31 C32 C33 -168.3(6) . . . . ? C35 C31 C32 Fe2 59.8(5) . . . . ? Li3 C31 C32 Fe2 -75.1(5) 2_656 . . . ? Li3 C31 C32 Fe2 -26.4(10) . . . . ? Li1 C31 C32 Fe2 -176.0(6) . . . . ? Li2 C31 C32 Fe2 -110.6(7) . . . . ? C35 C31 C32 Li3 134.9(7) . . . 2_656 ? Fe2 C31 C32 Li3 75.1(5) . . . 2_656 ? Li3 C31 C32 Li3 48.7(10) . . . 2_656 ? Li1 C31 C32 Li3 -100.9(8) . . . 2_656 ? Li2 C31 C32 Li3 -35.5(8) . . . 2_656 ? C33 Fe2 C32 C33 -42.7(15) 2_656 . . . ? C35 Fe2 C32 C33 -119.9(6) 2_656 . . . ? C35 Fe2 C32 C33 81.9(6) . . . . ? C32 Fe2 C32 C33 165.0(5) 2_656 . . . ? C34 Fe2 C32 C33 37.9(5) . . . . ? C34 Fe2 C32 C33 -77.4(7) 2_656 . . . ? C31 Fe2 C32 C33 -163.3(5) 2_656 . . . ? C31 Fe2 C32 C33 122.4(8) . . . . ? Li3 Fe2 C32 C33 140.2(5) . . . . ? Li3 Fe2 C32 C33 -167.0(7) 2_656 . . . ? C33 Fe2 C32 C31 -122.4(8) . . . . ? C33 Fe2 C32 C31 -165.1(9) 2_656 . . . ? C35 Fe2 C32 C31 117.7(6) 2_656 . . . ? C35 Fe2 C32 C31 -40.5(5) . . . . ? C32 Fe2 C32 C31 42.6(5) 2_656 . . . ? C34 Fe2 C32 C31 -84.5(6) . . . . ? C34 Fe2 C32 C31 160.2(6) 2_656 . . . ? C31 Fe2 C32 C31 74.2(8) 2_656 . . . ? Li3 Fe2 C32 C31 17.8(6) . . . . ? Li3 Fe2 C32 C31 70.5(6) 2_656 . . . ? C33 Fe2 C32 Li3 167.0(7) . . . 2_656 ? C33 Fe2 C32 Li3 124.3(10) 2_656 . . 2_656 ? C35 Fe2 C32 Li3 47.2(5) 2_656 . . 2_656 ? C35 Fe2 C32 Li3 -111.0(5) . . . 2_656 ? C32 Fe2 C32 Li3 -27.9(4) 2_656 . . 2_656 ? C34 Fe2 C32 Li3 -155.0(5) . . . 2_656 ? C34 Fe2 C32 Li3 89.7(6) 2_656 . . 2_656 ? C31 Fe2 C32 Li3 3.7(6) 2_656 . . 2_656 ? C31 Fe2 C32 Li3 -70.5(6) . . . 2_656 ? Li3 Fe2 C32 Li3 -52.8(7) . . . 2_656 ? C31 C32 C33 C34 -2.1(9) . . . . ? Fe2 C32 C33 C34 -60.7(5) . . . . ? Li3 C32 C33 C34 -78.4(11) 2_656 . . . ? C31 C32 C33 Fe2 58.6(6) . . . . ? Li3 C32 C33 Fe2 -17.7(10) 2_656 . . . ? C33 Fe2 C33 C34 -78.8(6) 2_656 . . . ? C35 Fe2 C33 C34 -161.8(6) 2_656 . . . ? C35 Fe2 C33 C34 38.0(6) . . . . ? C32 Fe2 C33 C34 -47.3(13) 2_656 . . . ? C32 Fe2 C33 C34 118.1(8) . . . . ? C34 Fe2 C33 C34 -120.3(7) 2_656 . . . ? C31 Fe2 C33 C34 160.7(10) 2_656 . . . ? C31 Fe2 C33 C34 82.1(7) . . . . ? Li3 Fe2 C33 C34 64.8(8) . . . . ? Li3 Fe2 C33 C34 129.8(7) 2_656 . . . ? C33 Fe2 C33 C32 163.1(6) 2_656 . . . ? C35 Fe2 C33 C32 80.1(6) 2_656 . . . ? C35 Fe2 C33 C32 -80.1(6) . . . . ? C32 Fe2 C33 C32 -165.4(7) 2_656 . . . ? C34 Fe2 C33 C32 -118.1(8) . . . . ? C34 Fe2 C33 C32 121.6(6) 2_656 . . . ? C31 Fe2 C33 C32 42.6(13) 2_656 . . . ? C31 Fe2 C33 C32 -36.0(5) . . . . ? Li3 Fe2 C33 C32 -53.3(7) . . . . ? Li3 Fe2 C33 C32 11.7(6) 2_656 . . . ? C32 C33 C34 C35 1.1(9) . . . . ? Fe2 C33 C34 C35 -59.4(5) . . . . ? C32 C33 C34 Fe2 60.5(6) . . . . ? C33 Fe2 C34 C33 119.6(8) 2_656 . . . ? C35 Fe2 C34 C33 46.7(14) 2_656 . . . ? C35 Fe2 C34 C33 -118.6(9) . . . . ? C32 Fe2 C34 C33 161.4(6) 2_656 . . . ? C32 Fe2 C34 C33 -38.4(6) . . . . ? C34 Fe2 C34 C33 78.2(6) 2_656 . . . ? C31 Fe2 C34 C33 -160.9(10) 2_656 . . . ? C31 Fe2 C34 C33 -82.4(7) . . . . ? Li3 Fe2 C34 C33 -132.5(7) . . . . ? Li3 Fe2 C34 C33 -65.2(8) 2_656 . . . ? C33 Fe2 C34 C35 118.6(9) . . . . ? C33 Fe2 C34 C35 -121.8(6) 2_656 . . . ? C35 Fe2 C34 C35 165.3(7) 2_656 . . . ? C32 Fe2 C34 C35 -80.0(7) 2_656 . . . ? C32 Fe2 C34 C35 80.2(6) . . . . ? C34 Fe2 C34 C35 -163.2(6) 2_656 . . . ? C31 Fe2 C34 C35 -42.4(14) 2_656 . . . ? C31 Fe2 C34 C35 36.2(6) . . . . ? Li3 Fe2 C34 C35 -13.9(7) . . . . ? Li3 Fe2 C34 C35 53.4(8) 2_656 . . . ? C33 C34 C35 C31 0.2(9) . . . . ? Fe2 C34 C35 C31 -59.2(6) . . . . ? C33 C34 C35 Fe2 59.4(5) . . . . ? C33 C34 C35 Li3 78.8(11) . . . . ? Fe2 C34 C35 Li3 19.4(9) . . . . ? C32 C31 C35 C34 -1.4(9) . . . . ? Fe2 C31 C35 C34 58.7(6) . . . . ? Li3 C31 C35 C34 84.7(13) 2_656 . . . ? Li3 C31 C35 C34 130.9(7) . . . . ? Li1 C31 C35 C34 -125.1(7) . . . . ? Li2 C31 C35 C34 170.1(6) . . . . ? C32 C31 C35 Fe2 -60.1(5) . . . . ? Li3 C31 C35 Fe2 26.0(11) 2_656 . . . ? Li3 C31 C35 Fe2 72.2(4) . . . . ? Li1 C31 C35 Fe2 176.3(7) . . . . ? Li2 C31 C35 Fe2 111.4(6) . . . . ? C32 C31 C35 Li3 -132.3(7) . . . . ? Fe2 C31 C35 Li3 -72.2(4) . . . . ? Li3 C31 C35 Li3 -46.2(10) 2_656 . . . ? Li1 C31 C35 Li3 104.0(8) . . . . ? Li2 C31 C35 Li3 39.2(6) . . . . ? C33 Fe2 C35 C34 -37.7(6) . . . . ? C33 Fe2 C35 C34 77.0(7) 2_656 . . . ? C35 Fe2 C35 C34 -165.1(6) 2_656 . . . ? C32 Fe2 C35 C34 119.8(6) 2_656 . . . ? C32 Fe2 C35 C34 -82.0(6) . . . . ? C34 Fe2 C35 C34 42.7(16) 2_656 . . . ? C31 Fe2 C35 C34 163.2(6) 2_656 . . . ? C31 Fe2 C35 C34 -122.4(8) . . . . ? Li3 Fe2 C35 C34 165.2(8) . . . . ? Li3 Fe2 C35 C34 -138.0(7) 2_656 . . . ? C33 Fe2 C35 C31 84.7(6) . . . . ? C33 Fe2 C35 C31 -160.6(6) 2_656 . . . ? C35 Fe2 C35 C31 -42.7(5) 2_656 . . . ? C32 Fe2 C35 C31 -117.8(6) 2_656 . . . ? C32 Fe2 C35 C31 40.4(6) . . . . ? C34 Fe2 C35 C31 122.4(8) . . . . ? C34 Fe2 C35 C31 165.1(10) 2_656 . . . ? C31 Fe2 C35 C31 -74.4(9) 2_656 . . . ? Li3 Fe2 C35 C31 -72.4(7) . . . . ? Li3 Fe2 C35 C31 -15.6(7) 2_656 . . . ? C33 Fe2 C35 Li3 157.1(6) . . . . ? C33 Fe2 C35 Li3 -88.1(6) 2_656 . . . ? C35 Fe2 C35 Li3 29.7(5) 2_656 . . . ? C32 Fe2 C35 Li3 -45.4(6) 2_656 . . . ? C32 Fe2 C35 Li3 112.9(6) . . . . ? C34 Fe2 C35 Li3 -165.2(8) . . . . ? C34 Fe2 C35 Li3 -122.5(12) 2_656 . . . ? C31 Fe2 C35 Li3 -2.0(6) 2_656 . . . ? C31 Fe2 C35 Li3 72.4(7) . . . . ? Li3 Fe2 C35 Li3 56.8(9) 2_656 . . . ? C21 Li3 C35 C34 -173.5(13) . . . . ? C31 Li3 C35 C34 -18.2(13) 2_656 . . . ? C31 Li3 C35 C34 -98.2(12) . . . . ? C32 Li3 C35 C34 15.2(12) 2_656 . . . ? Li2 Li3 C35 C34 -132.4(10) . . . . ? C25 Li3 C35 C34 143.5(10) . . . . ? Fe2 Li3 C35 C34 -19.8(10) . . . . ? Li2 Li3 C35 C34 -81.2(16) 2_656 . . . ? Li3 Li3 C35 C34 -73.0(12) 2_656 . . . ? C21 Li3 C35 C31 -75.2(14) . . . . ? C31 Li3 C35 C31 80.0(6) 2_656 . . . ? C32 Li3 C35 C31 113.4(6) 2_656 . . . ? Li2 Li3 C35 C31 -34.1(6) . . . . ? C25 Li3 C35 C31 -118.3(10) . . . . ? Fe2 Li3 C35 C31 78.4(5) . . . . ? Li2 Li3 C35 C31 17.1(11) 2_656 . . . ? Li3 Li3 C35 C31 25.2(6) 2_656 . . . ? C21 Li3 C35 Fe2 -153.6(14) . . . . ? C31 Li3 C35 Fe2 1.6(5) 2_656 . . . ? C31 Li3 C35 Fe2 -78.4(5) . . . . ? C32 Li3 C35 Fe2 35.0(4) 2_656 . . . ? Li2 Li3 C35 Fe2 -112.5(5) . . . . ? C25 Li3 C35 Fe2 163.3(10) . . . . ? Li2 Li3 C35 Fe2 -61.3(10) 2_656 . . . ? Li3 Li3 C35 Fe2 -53.2(4) 2_656 . . . ? _diffrn_measured_fraction_theta_max 0.969 _diffrn_reflns_theta_full 25.85 _diffrn_measured_fraction_theta_full 0.969 _refine_diff_density_max 0.293 _refine_diff_density_min -0.438 _refine_diff_density_rms 0.071