Supplementary material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2008 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _publ_section_title ;The heteronuclear bonding between heavier Group 14 elements and transition metals: a novel trioxystannate-iron complex {[Li][(Me2NCH2CH2O)3Sn-Fe(CO)4]}2 with an unusual stannate fragment ; _publ_contact_author_name 'Victor Khrustalev' _publ_contact_author_email VKH@XRAY.INEOS.AC.RU loop_ _publ_author_name 'Victor Khrustalev' 'Rinat R. Aysin' 'Sergey S. Bukalov' 'Oleg V. Chernov' 'Mikhail S. Nechaev' ; I.A.Portnyagin ; # Attachment 'FeSnLi.cif' data_FeSnLi _database_code_depnum_ccdc_archive 'CCDC 641559' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C32 H60 Fe2 Li2 N6 O14 Sn2' _chemical_formula_sum 'C32 H60 Fe2 Li2 N6 O14 Sn2' _chemical_formula_weight 1115.82 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sn Sn -0.6537 1.4246 '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' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.4307(6) _cell_length_b 11.2826(7) _cell_length_c 11.9436(8) _cell_angle_alpha 81.678(5) _cell_angle_beta 75.895(5) _cell_angle_gamma 66.151(5) _cell_volume 1125.75(13) _cell_formula_units_Z 1 _cell_measurement_temperature 100.0(2) _cell_measurement_reflns_used 8585 _cell_measurement_theta_min 2.4 _cell_measurement_theta_max 30.6 _exptl_crystal_description prism _exptl_crystal_colour light-yellow _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 1.646 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 564 _exptl_absorpt_coefficient_mu 1.793 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.663 _exptl_absorpt_correction_T_max 0.841 _exptl_absorpt_process_details 'SADABS (Sheldrick, 2003)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 100.0(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 'Bruker SMART APEX II CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 15299 _diffrn_reflns_av_R_equivalents 0.0216 _diffrn_reflns_av_sigmaI/netI 0.0292 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 1.76 _diffrn_reflns_theta_max 30.60 _reflns_number_total 6861 _reflns_number_gt 6296 _reflns_threshold_expression I>2\s(I) _computing_data_collection 'APEX2 (Bruker, 2005)' _computing_cell_refinement 'SAINTPlus, v. 6.2 (Bruker, 2001)' _computing_data_reduction 'SAINTPlus, v. 6.2 (Bruker, 2001)' _computing_structure_solution 'SHELXTL, v. 6.12 (Sheldrick, 2001)' _computing_structure_refinement 'SHELXTL, v. 6.12 (Sheldrick, 2001)' _computing_molecular_graphics 'SHELXTL, v. 6.12 (Sheldrick, 2001)' _computing_publication_material 'SHELXTL, v. 6.12 (Sheldrick, 2001)' _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^)+(0.0200P)^2^+0.3500P] 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 6861 _refine_ls_number_parameters 262 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0241 _refine_ls_R_factor_gt 0.0208 _refine_ls_wR_factor_ref 0.0475 _refine_ls_wR_factor_gt 0.0461 _refine_ls_goodness_of_fit_ref 1.002 _refine_ls_restrained_S_all 1.002 _refine_ls_shift/su_max 0.002 _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 Sn1 Sn 0.508360(11) 0.166344(9) 0.299122(8) 0.01125(3) Uani 1 1 d . . . Fe1 Fe 0.67073(2) 0.27860(2) 0.164036(17) 0.01352(4) Uani 1 1 d . . . O1 O 0.47600(13) 0.00207(10) 0.29059(9) 0.0154(2) Uani 1 1 d . . . O2 O 0.33155(12) 0.24419(9) 0.43382(9) 0.01399(19) Uani 1 1 d . . . O3 O 0.62137(12) 0.04397(10) 0.42798(8) 0.01363(19) Uani 1 1 d . . . O4 O 0.39636(15) 0.52268(12) 0.14698(12) 0.0307(3) Uani 1 1 d . . . O5 O 0.76975(17) 0.05565(13) 0.02123(12) 0.0339(3) Uani 1 1 d . . . O6 O 0.82354(14) 0.29019(11) 0.34602(10) 0.0238(2) Uani 1 1 d . . . O7 O 0.87993(16) 0.38748(13) 0.00266(11) 0.0300(3) Uani 1 1 d . . . N1 N 0.28098(15) 0.23293(12) 0.18762(11) 0.0158(2) Uani 1 1 d . . . N2 N 0.37145(15) 0.30494(12) 0.64466(11) 0.0165(2) Uani 1 1 d . . . N3 N 0.94883(15) -0.16726(12) 0.33586(11) 0.0174(2) Uani 1 1 d . . . C1 C 0.37262(19) -0.00328(15) 0.22522(14) 0.0206(3) Uani 1 1 d . . . H1A H 0.3364 -0.0745 0.2579 0.025 Uiso 1 1 calc R . . H1B H 0.4306 -0.0226 0.1447 0.025 Uiso 1 1 calc R . . C2 C 0.22990(18) 0.12346(15) 0.22520(14) 0.0184(3) Uani 1 1 d . . . H2A H 0.1658 0.1197 0.1724 0.022 Uiso 1 1 calc R . . H2B H 0.1630 0.1367 0.3039 0.022 Uiso 1 1 calc R . . C3 C 0.14656(18) 0.35591(15) 0.21934(14) 0.0208(3) Uani 1 1 d . . . H3A H 0.1073 0.3543 0.3032 0.031 Uiso 1 1 calc R . . H3B H 0.0616 0.3669 0.1803 0.031 Uiso 1 1 calc R . . H3C H 0.1814 0.4283 0.1956 0.031 Uiso 1 1 calc R . . C4 C 0.3374(2) 0.23666(18) 0.06115(13) 0.0248(3) Uani 1 1 d . . . H4A H 0.3704 0.3100 0.0372 0.037 Uiso 1 1 calc R . . H4B H 0.2518 0.2468 0.0232 0.037 Uiso 1 1 calc R . . H4C H 0.4276 0.1556 0.0390 0.037 Uiso 1 1 calc R . . C5 C 0.28319(19) 0.37607(14) 0.45812(13) 0.0186(3) Uani 1 1 d . . . H5A H 0.1901 0.4304 0.4239 0.022 Uiso 1 1 calc R . . H5B H 0.3699 0.4065 0.4232 0.022 Uiso 1 1 calc R . . C6 C 0.24124(18) 0.38959(14) 0.58740(13) 0.0179(3) Uani 1 1 d . . . H6A H 0.2134 0.4809 0.6032 0.022 Uiso 1 1 calc R . . H6B H 0.1470 0.3681 0.6204 0.022 Uiso 1 1 calc R . . C7 C 0.5019(2) 0.35058(16) 0.61600(16) 0.0241(3) Uani 1 1 d . . . H7A H 0.5420 0.3505 0.5322 0.036 Uiso 1 1 calc R . . H7B H 0.5873 0.2928 0.6549 0.036 Uiso 1 1 calc R . . H7C H 0.4636 0.4389 0.6417 0.036 Uiso 1 1 calc R . . C8 C 0.3116(2) 0.30601(17) 0.77011(14) 0.0263(3) Uani 1 1 d . . . H8A H 0.2241 0.2759 0.7897 0.039 Uiso 1 1 calc R . . H8B H 0.2738 0.3945 0.7952 0.039 Uiso 1 1 calc R . . H8C H 0.3969 0.2484 0.8092 0.039 Uiso 1 1 calc R . . C9 C 0.77026(17) 0.02553(14) 0.45134(13) 0.0156(3) Uani 1 1 d . . . H9A H 0.7875 -0.0332 0.5212 0.019 Uiso 1 1 calc R . . H9B H 0.7664 0.1101 0.4687 0.019 Uiso 1 1 calc R . . C10 C 0.91065(17) -0.03093(14) 0.35260(13) 0.0165(3) Uani 1 1 d . . . H10A H 0.8870 0.0207 0.2802 0.020 Uiso 1 1 calc R . . H10B H 1.0046 -0.0228 0.3682 0.020 Uiso 1 1 calc R . . C11 C 1.03300(19) -0.25035(15) 0.42417(15) 0.0218(3) Uani 1 1 d . . . H11A H 0.9665 -0.2271 0.5010 0.033 Uiso 1 1 calc R . . H11B H 1.1320 -0.2383 0.4177 0.033 Uiso 1 1 calc R . . H11C H 1.0568 -0.3413 0.4130 0.033 Uiso 1 1 calc R . . C12 C 1.0485(2) -0.20182(18) 0.22137(15) 0.0289(4) Uani 1 1 d . . . H12A H 1.0743 -0.2932 0.2106 0.043 Uiso 1 1 calc R . . H12B H 1.1465 -0.1881 0.2147 0.043 Uiso 1 1 calc R . . H12C H 0.9916 -0.1473 0.1621 0.043 Uiso 1 1 calc R . . C13 C 0.49932(19) 0.42377(16) 0.15456(14) 0.0203(3) Uani 1 1 d . . . C14 C 0.7297(2) 0.14235(16) 0.07814(14) 0.0216(3) Uani 1 1 d . . . C15 C 0.76116(18) 0.28123(14) 0.27758(13) 0.0166(3) Uani 1 1 d . . . C16 C 0.79726(19) 0.34448(16) 0.06424(13) 0.0201(3) Uani 1 1 d . . . Li1 Li 0.5727(3) -0.1139(2) 0.4267(2) 0.0179(5) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Sn1 0.01296(5) 0.01053(5) 0.00978(5) 0.00078(3) -0.00202(3) -0.00463(3) Fe1 0.01530(10) 0.01407(9) 0.01176(9) 0.00222(7) -0.00280(7) -0.00716(8) O1 0.0202(5) 0.0129(5) 0.0155(5) 0.0001(4) -0.0067(4) -0.0071(4) O2 0.0168(5) 0.0097(4) 0.0137(5) -0.0017(4) -0.0017(4) -0.0039(4) O3 0.0124(4) 0.0147(5) 0.0138(5) 0.0024(4) -0.0037(4) -0.0057(4) O4 0.0258(6) 0.0218(6) 0.0406(8) 0.0065(5) -0.0124(6) -0.0046(5) O5 0.0437(8) 0.0324(7) 0.0268(7) -0.0122(5) 0.0051(6) -0.0193(6) O6 0.0296(6) 0.0237(6) 0.0235(6) 0.0024(5) -0.0115(5) -0.0134(5) O7 0.0368(7) 0.0413(7) 0.0217(6) 0.0046(5) -0.0033(5) -0.0284(6) N1 0.0175(6) 0.0179(6) 0.0131(6) 0.0012(4) -0.0038(5) -0.0081(5) N2 0.0198(6) 0.0160(6) 0.0128(6) -0.0017(4) -0.0022(5) -0.0065(5) N3 0.0170(6) 0.0159(6) 0.0170(6) -0.0010(5) -0.0034(5) -0.0039(5) C1 0.0234(8) 0.0187(7) 0.0227(8) -0.0038(6) -0.0090(6) -0.0080(6) C2 0.0203(7) 0.0195(7) 0.0188(7) 0.0003(6) -0.0069(6) -0.0099(6) C3 0.0184(7) 0.0183(7) 0.0248(8) 0.0023(6) -0.0074(6) -0.0054(6) C4 0.0269(8) 0.0381(9) 0.0134(7) 0.0025(6) -0.0052(6) -0.0171(7) C5 0.0257(8) 0.0101(6) 0.0185(7) -0.0002(5) -0.0072(6) -0.0040(6) C6 0.0198(7) 0.0136(6) 0.0183(7) -0.0047(5) -0.0032(6) -0.0033(5) C7 0.0212(8) 0.0227(8) 0.0307(9) -0.0025(7) -0.0061(6) -0.0100(6) C8 0.0326(9) 0.0261(8) 0.0142(7) -0.0042(6) -0.0019(6) -0.0058(7) C9 0.0154(6) 0.0164(6) 0.0154(6) -0.0003(5) -0.0045(5) -0.0059(5) C10 0.0150(6) 0.0154(6) 0.0183(7) 0.0017(5) -0.0027(5) -0.0064(5) C11 0.0206(7) 0.0172(7) 0.0256(8) 0.0025(6) -0.0091(6) -0.0038(6) C12 0.0285(9) 0.0286(9) 0.0219(8) -0.0066(7) 0.0000(7) -0.0043(7) C13 0.0226(7) 0.0223(7) 0.0192(7) 0.0041(6) -0.0060(6) -0.0125(6) C14 0.0236(8) 0.0244(8) 0.0174(7) 0.0018(6) -0.0013(6) -0.0126(6) C15 0.0172(7) 0.0129(6) 0.0184(7) 0.0017(5) -0.0020(5) -0.0061(5) C16 0.0248(8) 0.0225(7) 0.0161(7) 0.0010(6) -0.0063(6) -0.0118(6) Li1 0.0241(13) 0.0148(12) 0.0151(12) -0.0001(9) -0.0042(10) -0.0078(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 Sn1 O2 2.0143(10) . ? Sn1 O1 2.0164(10) . ? Sn1 O3 2.0988(10) . ? Sn1 Fe1 2.5149(2) . ? Sn1 N1 2.5953(12) . ? Fe1 C15 1.7785(16) . ? Fe1 C16 1.7789(16) . ? Fe1 C13 1.7897(16) . ? Fe1 C14 1.7921(17) . ? O1 C1 1.4128(18) . ? O1 Li1 2.080(3) . ? O2 C5 1.4205(17) . ? O2 Li1 2.169(3) 2_656 ? O3 C9 1.4250(17) . ? O3 Li1 2.015(3) . ? O3 Li1 2.160(3) 2_656 ? O4 C13 1.155(2) . ? O5 C14 1.153(2) . ? O6 C15 1.1537(19) . ? O7 C16 1.1434(19) . ? N1 C3 1.474(2) . ? N1 C2 1.4745(19) . ? N1 C4 1.475(2) . ? N2 C8 1.467(2) . ? N2 C7 1.467(2) . ? N2 C6 1.4696(19) . ? N2 Li1 2.245(3) 2_656 ? N3 C12 1.462(2) . ? N3 C11 1.463(2) . ? N3 C10 1.4635(19) . ? C1 C2 1.517(2) . ? C1 H1A 0.9900 . ? C1 H1B 0.9900 . ? C2 H2A 0.9900 . ? C2 H2B 0.9900 . ? C3 H3A 0.9800 . ? C3 H3B 0.9800 . ? C3 H3C 0.9800 . ? C4 H4A 0.9800 . ? C4 H4B 0.9800 . ? C4 H4C 0.9800 . ? C5 C6 1.512(2) . ? C5 H5A 0.9900 . ? C5 H5B 0.9900 . ? C6 H6A 0.9900 . ? C6 H6B 0.9900 . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 C10 1.524(2) . ? C9 H9A 0.9900 . ? C9 H9B 0.9900 . ? C10 H10A 0.9900 . ? C10 H10B 0.9900 . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? Li1 Li1 2.974(5) 2_656 ? Sn1 Li1 3.193(3) . ? Sn1 Li1 3.201(3) 2_656 ? 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 O2 Sn1 O1 99.42(4) . . ? O2 Sn1 O3 83.72(4) . . ? O1 Sn1 O3 77.51(4) . . ? O2 Sn1 Fe1 126.33(3) . . ? O1 Sn1 Fe1 133.00(3) . . ? O3 Sn1 Fe1 114.02(3) . . ? O2 Sn1 N1 84.17(4) . . ? O1 Sn1 N1 74.37(4) . . ? O3 Sn1 N1 147.00(4) . . ? Fe1 Sn1 N1 97.83(3) . . ? C15 Fe1 C16 90.34(7) . . ? C15 Fe1 C13 111.66(7) . . ? C16 Fe1 C13 92.35(7) . . ? C15 Fe1 C14 124.84(7) . . ? C16 Fe1 C14 92.43(7) . . ? C13 Fe1 C14 123.22(7) . . ? C15 Fe1 Sn1 90.29(5) . . ? C16 Fe1 Sn1 175.01(5) . . ? C13 Fe1 Sn1 92.02(5) . . ? C14 Fe1 Sn1 83.15(5) . . ? C1 O1 Sn1 122.24(9) . . ? C1 O1 Li1 133.18(12) . . ? Sn1 O1 Li1 102.40(8) . . ? C5 O2 Sn1 120.58(9) . . ? C5 O2 Li1 111.41(11) . 2_656 ? Sn1 O2 Li1 99.78(8) . 2_656 ? C9 O3 Li1 118.26(11) . . ? C9 O3 Sn1 127.89(8) . . ? Li1 O3 Sn1 101.80(9) . . ? C9 O3 Li1 112.91(11) . 2_656 ? Li1 O3 Li1 90.77(11) . 2_656 ? Sn1 O3 Li1 97.43(8) . 2_656 ? C3 N1 C2 109.65(12) . . ? C3 N1 C4 108.71(12) . . ? C2 N1 C4 110.24(12) . . ? C3 N1 Sn1 115.65(9) . . ? C2 N1 Sn1 99.63(8) . . ? C4 N1 Sn1 112.60(9) . . ? C8 N2 C7 109.14(13) . . ? C8 N2 C6 108.74(12) . . ? C7 N2 C6 110.83(12) . . ? C8 N2 Li1 112.58(12) . 2_656 ? C7 N2 Li1 114.92(12) . 2_656 ? C6 N2 Li1 100.23(11) . 2_656 ? C12 N3 C11 109.35(13) . . ? C12 N3 C10 109.67(13) . . ? C11 N3 C10 110.01(12) . . ? O1 C1 C2 111.63(12) . . ? O1 C1 H1A 109.3 . . ? C2 C1 H1A 109.3 . . ? O1 C1 H1B 109.3 . . ? C2 C1 H1B 109.3 . . ? H1A C1 H1B 108.0 . . ? N1 C2 C1 110.37(13) . . ? N1 C2 H2A 109.6 . . ? C1 C2 H2A 109.6 . . ? N1 C2 H2B 109.6 . . ? C1 C2 H2B 109.6 . . ? H2A C2 H2B 108.1 . . ? N1 C3 H3A 109.5 . . ? N1 C3 H3B 109.5 . . ? H3A C3 H3B 109.5 . . ? N1 C3 H3C 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? N1 C4 H4A 109.5 . . ? N1 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? N1 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? O2 C5 C6 109.83(12) . . ? O2 C5 H5A 109.7 . . ? C6 C5 H5A 109.7 . . ? O2 C5 H5B 109.7 . . ? C6 C5 H5B 109.7 . . ? H5A C5 H5B 108.2 . . ? N2 C6 C5 112.52(12) . . ? N2 C6 H6A 109.1 . . ? C5 C6 H6A 109.1 . . ? N2 C6 H6B 109.1 . . ? C5 C6 H6B 109.1 . . ? H6A C6 H6B 107.8 . . ? N2 C7 H7A 109.5 . . ? N2 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? N2 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? N2 C8 H8A 109.5 . . ? N2 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? N2 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? O3 C9 C10 114.07(12) . . ? O3 C9 H9A 108.7 . . ? C10 C9 H9A 108.7 . . ? O3 C9 H9B 108.7 . . ? C10 C9 H9B 108.7 . . ? H9A C9 H9B 107.6 . . ? N3 C10 C9 113.49(12) . . ? N3 C10 H10A 108.9 . . ? C9 C10 H10A 108.9 . . ? N3 C10 H10B 108.9 . . ? C9 C10 H10B 108.9 . . ? H10A C10 H10B 107.7 . . ? N3 C11 H11A 109.5 . . ? N3 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? N3 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? N3 C12 H12A 109.5 . . ? N3 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? N3 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? O4 C13 Fe1 174.67(14) . . ? O5 C14 Fe1 178.59(15) . . ? O6 C15 Fe1 174.65(13) . . ? O7 C16 Fe1 178.07(14) . . ? O3 Li1 O1 77.98(10) . . ? O3 Li1 O3 89.23(11) . 2_656 ? O1 Li1 O3 101.51(12) . 2_656 ? O3 Li1 O2 105.71(12) . 2_656 ? O1 Li1 O2 176.31(15) . 2_656 ? O3 Li1 O2 78.73(9) 2_656 2_656 ? O3 Li1 N2 150.81(15) . 2_656 ? O1 Li1 N2 96.36(11) . 2_656 ? O3 Li1 N2 119.90(13) 2_656 2_656 ? O2 Li1 N2 80.41(9) 2_656 2_656 ? 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 O2 Sn1 Fe1 C15 68.84(6) . . . . ? O1 Sn1 Fe1 C15 -126.76(6) . . . . ? O3 Sn1 Fe1 C15 -31.49(6) . . . . ? N1 Sn1 Fe1 C15 157.34(6) . . . . ? O2 Sn1 Fe1 C13 -42.85(6) . . . . ? O1 Sn1 Fe1 C13 121.55(7) . . . . ? O3 Sn1 Fe1 C13 -143.18(6) . . . . ? N1 Sn1 Fe1 C13 45.65(6) . . . . ? O2 Sn1 Fe1 C14 -166.08(7) . . . . ? O1 Sn1 Fe1 C14 -1.67(7) . . . . ? O3 Sn1 Fe1 C14 93.60(6) . . . . ? N1 Sn1 Fe1 C14 -77.57(6) . . . . ? O2 Sn1 O1 C1 88.04(11) . . . . ? O3 Sn1 O1 C1 169.40(12) . . . . ? Fe1 Sn1 O1 C1 -79.27(11) . . . . ? N1 Sn1 O1 C1 6.86(11) . . . . ? O2 Sn1 O1 Li1 -77.16(9) . . . . ? O3 Sn1 O1 Li1 4.20(9) . . . . ? Fe1 Sn1 O1 Li1 115.52(8) . . . . ? N1 Sn1 O1 Li1 -158.34(9) . . . . ? O1 Sn1 O2 C5 -166.11(10) . . . . ? O3 Sn1 O2 C5 117.70(10) . . . . ? Fe1 Sn1 O2 C5 2.39(11) . . . . ? N1 Sn1 O2 C5 -93.06(10) . . . . ? O1 Sn1 O2 Li1 71.73(8) . . . 2_656 ? O3 Sn1 O2 Li1 -4.45(8) . . . 2_656 ? Fe1 Sn1 O2 Li1 -119.76(8) . . . 2_656 ? N1 Sn1 O2 Li1 144.78(8) . . . 2_656 ? O2 Sn1 O3 C9 -122.35(11) . . . . ? O1 Sn1 O3 C9 136.53(11) . . . . ? Fe1 Sn1 O3 C9 4.77(11) . . . . ? N1 Sn1 O3 C9 168.56(10) . . . . ? O2 Sn1 O3 Li1 96.80(9) . . . . ? O1 Sn1 O3 Li1 -4.33(9) . . . . ? Fe1 Sn1 O3 Li1 -136.08(8) . . . . ? N1 Sn1 O3 Li1 27.71(12) . . . . ? O2 Sn1 O3 Li1 4.44(8) . . . 2_656 ? O1 Sn1 O3 Li1 -96.68(8) . . . 2_656 ? Fe1 Sn1 O3 Li1 131.56(7) . . . 2_656 ? N1 Sn1 O3 Li1 -64.64(11) . . . 2_656 ? O2 Sn1 N1 C3 36.27(10) . . . . ? O1 Sn1 N1 C3 137.77(11) . . . . ? O3 Sn1 N1 C3 105.23(11) . . . . ? Fe1 Sn1 N1 C3 -89.68(10) . . . . ? O2 Sn1 N1 C2 -81.11(9) . . . . ? O1 Sn1 N1 C2 20.38(8) . . . . ? O3 Sn1 N1 C2 -12.15(13) . . . . ? Fe1 Sn1 N1 C2 152.94(8) . . . . ? O2 Sn1 N1 C4 162.09(11) . . . . ? O1 Sn1 N1 C4 -96.41(11) . . . . ? O3 Sn1 N1 C4 -128.94(11) . . . . ? Fe1 Sn1 N1 C4 36.15(10) . . . . ? Sn1 O1 C1 C2 -33.88(17) . . . . ? Li1 O1 C1 C2 126.13(16) . . . . ? C3 N1 C2 C1 -163.81(12) . . . . ? C4 N1 C2 C1 76.55(15) . . . . ? Sn1 N1 C2 C1 -42.01(12) . . . . ? O1 C1 C2 N1 53.48(17) . . . . ? Sn1 O2 C5 C6 -142.56(10) . . . . ? Li1 O2 C5 C6 -26.22(16) 2_656 . . . ? C8 N2 C6 C5 -169.62(13) . . . . ? C7 N2 C6 C5 70.42(16) . . . . ? Li1 N2 C6 C5 -51.37(15) 2_656 . . . ? O2 C5 C6 N2 55.75(17) . . . . ? Li1 O3 C9 C10 72.68(16) . . . . ? Sn1 O3 C9 C10 -62.76(15) . . . . ? Li1 O3 C9 C10 176.79(12) 2_656 . . . ? C12 N3 C10 C9 162.66(13) . . . . ? C11 N3 C10 C9 -77.03(15) . . . . ? O3 C9 C10 N3 -70.86(16) . . . . ? C9 O3 Li1 O1 -141.37(11) . . . . ? Sn1 O3 Li1 O1 4.18(9) . . . . ? Li1 O3 Li1 O1 101.94(11) 2_656 . . . ? C9 O3 Li1 O3 116.69(12) . . . 2_656 ? Sn1 O3 Li1 O3 -97.76(8) . . . 2_656 ? C9 O3 Li1 O2 38.63(16) . . . 2_656 ? Sn1 O3 Li1 O2 -175.82(9) . . . 2_656 ? Li1 O3 Li1 O2 -78.07(11) 2_656 . . 2_656 ? C9 O3 Li1 N2 -59.9(3) . . . 2_656 ? Sn1 O3 Li1 N2 85.6(3) . . . 2_656 ? Li1 O3 Li1 N2 -176.6(3) 2_656 . . 2_656 ? C1 O1 Li1 O3 -167.14(13) . . . . ? Sn1 O1 Li1 O3 -4.37(9) . . . . ? C1 O1 Li1 O3 -80.43(17) . . . 2_656 ? Sn1 O1 Li1 O3 82.35(10) . . . 2_656 ? C1 O1 Li1 N2 41.89(19) . . . 2_656 ? Sn1 O1 Li1 N2 -155.34(8) . . . 2_656 ? _diffrn_measured_fraction_theta_max 0.991 _diffrn_reflns_theta_full 30.60 _diffrn_measured_fraction_theta_full 0.991 _refine_diff_density_max 0.865 _refine_diff_density_min -0.738 _refine_diff_density_rms 0.075 _publ_section_references ; Bruker (2001). SAINTPlus, v. 6.2. Data Reduction and Correction Program, Bruker AXS, Madison, Wisconsin, USA. Bruker (2005). APEX2 software package, v. 1.27. Bruker Molecular Analysis Research Tool, Bruker AXS, Madison, Wisconsin, USA. Sheldrick G.M. (2003). SADABS, v. 2.03, Bruker/Siemens Area Detector Absorption Correction Program, Bruker AXS, Madison, Wisconsin, USA. Sheldrick G.M. (2001). SHELXTL, v. 6.12. Structure Determination Software Suite, Bruker AXS, Madison, Wisconsin, USA. ;