data_2010562 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2000 _journal_volume 56 _journal_page_first e3 _journal_page_last e3 _publ_section_title ; Tetrakis(2-methyl-2-phenylpropyl)stannane at 150 K ; loop_ _publ_author_name 'Low, John Nicolson' 'Wardell, J. L' _chemical_name_common 'tetra(neophyl)tin' _chemical_formula_moiety 'C40 H52 Sn' _chemical_formula_sum 'C40 H52 Sn' _chemical_formula_iupac '[Sn (C10 H13)4]' _chemical_formula_weight 651.51 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 13.9224(4) _cell_length_b 9.9590(2) _cell_length_c 25.6952(6) _cell_angle_alpha 90.00 _cell_angle_beta 104.5178(14) _cell_angle_gamma 90.00 _cell_volume 3448.96(15) _cell_formula_units_Z 4 _cell_measurement_temperature 150.00(10) _exptl_crystal_density_diffrn 1.255 _diffrn_ambient_temperature 150.00(10) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Sn1 .228713(15) .29327(2) .112097(8) .02055(8) Uani d . 1 . . Sn C1A .3145(2) .2547(3) .19360(13) .0266(8) Uani d . 1 . . C C2A .3860(2) .1341(3) .20645(13) .0273(8) Uani d . 1 . . C C21A .4418(3) .1423(4) .26652(13) .0368(9) Uani d . 1 . . C C22A .3263(3) .0035(3) .19885(15) .0418(10) Uani d . 1 . . C C11A .4635(2) .1369(3) .17340(13) .0277(8) Uani d . 1 . . C C12A .4942(3) .0236(4) .15103(16) .0487(11) Uani d . 1 . . C C13A .5680(3) .0304(6) .12299(19) .0722(16) Uani d . 1 . . C C14A .6111(3) .1505(7) .11730(17) .0682(15) Uani d . 1 . . C C15A .5823(3) .2638(5) .13862(17) .0549(12) Uani d . 1 . . C C16A .5094(3) .2571(4) .16642(15) .0375(9) Uani d . 1 . . C C1B .2386(2) .1222(3) .06066(12) .0234(7) Uani d . 1 . . C C2B .2122(2) .1386(3) -.00105(12) .0248(7) Uani d . 1 . . C C21B .1036(2) .1818(3) -.02118(13) .0320(8) Uani d . 1 . . C C22B .2232(3) -.0002(3) -.02649(14) .0330(8) Uani d . 1 . . C C11B .2834(2) .2357(3) -.01873(12) .0259(7) Uani d . 1 . . C C12B .3851(3) .2169(4) -.00005(14) .0345(8) Uani d . 1 . . C C13B .4518(3) .2996(4) -.01619(16) .0478(10) Uani d . 1 . . C C14B .4184(3) .4043(4) -.05149(15) .0504(11) Uani d . 1 . . C C15B .3180(3) .4247(4) -.06990(14) .0425(10) Uani d . 1 . . C C16B .2513(3) .3415(3) -.05390(13) .0335(9) Uani d . 1 . . C C1C .2971(2) .4691(3) .08648(13) .0249(7) Uani d . 1 . . C C2C .2438(2) .6066(3) .08068(12) .0246(7) Uani d . 1 . . C C21C .3163(3) .7144(3) .07046(14) .0362(9) Uani d . 1 . . C C22C .1540(3) .6015(4) .03161(13) .0382(9) Uani d . 1 . . C C11C .2137(2) .6470(3) .13183(12) .0218(7) Uani d . 1 . . C C12C .2792(3) .6268(3) .18195(13) .0307(8) Uani d . 1 . . C C13C .2570(3) .6695(4) .22865(15) .0439(10) Uani d . 1 . . C C14C .1695(4) .7335(4) .22699(17) .0503(12) Uani d . 1 . . C C15C .1027(3) .7544(4) .17833(19) .0489(11) Uani d . 1 . . C C16C .1252(3) .7116(3) .13118(14) .0332(8) Uani d . 1 . . C C1D .0742(2) .3340(3) .10973(13) .0244(7) Uani d . 1 . . C C2D .0191(2) .2460(3) .14255(13) .0251(7) Uani d . 1 . . C C21D -.0897(2) .2939(4) .13127(13) .0351(8) Uani d . 1 . . C C22D .0186(3) .0998(3) .12357(13) .0332(8) Uani d . 1 . . C C11D .0673(2) .2595(3) .20301(12) .0234(7) Uani d . 1 . . C C12D .0885(2) .3862(3) .22603(12) .0283(8) Uani d . 1 . . C C13D .1371(3) .4013(4) .27984(13) .0346(9) Uani d . 1 . . C C14D .1651(3) .2905(4) .31226(14) .0388(9) Uani d . 1 . . C C15D .1415(3) .1654(4) .29076(14) .0382(9) Uani d . 1 . . C C16D .0927(2) .1494(4) .23682(13) .0320(8) Uani d . 1 . . C H1A1 .3533 .3347 .2058 .032 Uiso calc R 1 . . H H1A2 .2677 .2456 .2157 .032 Uiso calc R 1 . . H H21A .4801 .2235 .2729 .055 Uiso calc R 1 . . H H21B .4852 .0664 .2758 .055 Uiso calc R 1 . . H H21C .3948 .1421 .2882 .055 Uiso calc R 1 . . H H22A .2753 .0091 .2179 .063 Uiso calc R 1 . . H H22B .3696 -.0703 .2126 .063 Uiso calc R 1 . . H H22C .2966 -.0103 .1613 .063 Uiso calc R 1 . . H H12A .4652 -.0588 .1547 .058 Uiso calc R 1 . . H H13A .5876 -.0470 .1082 .087 Uiso calc R 1 . . H H14A .6604 .1549 .0987 .082 Uiso calc R 1 . . H H15A .6116 .3457 .1345 .066 Uiso calc R 1 . . H H16A .4905 .3354 .1809 .045 Uiso calc R 1 . . H H1B1 .3061 .0888 .0715 .028 Uiso calc R 1 . . H H1B2 .1962 .0521 .0688 .028 Uiso calc R 1 . . H H21D .0961 .2720 -.0096 .048 Uiso calc R 1 . . H H21E .0623 .1225 -.0068 .048 Uiso calc R 1 . . H H21F .0844 .1780 -.0597 .048 Uiso calc R 1 . . H H22D .2066 .0080 -.0649 .049 Uiso calc R 1 . . H H22E .1794 -.0636 -.0162 .049 Uiso calc R 1 . . H H22F .2904 -.0309 -.0140 .049 Uiso calc R 1 . . H H12B .4088 .1472 .0238 .041 Uiso calc R 1 . . H H13B .5195 .2850 -.0033 .057 Uiso calc R 1 . . H H14B .4631 .4599 -.0626 .061 Uiso calc R 1 . . H H15B .2946 .4952 -.0934 .051 Uiso calc R 1 . . H H16B .1836 .3567 -.0669 .040 Uiso calc R 1 . . H H1C1 .3612 .4810 .1117 .030 Uiso calc R 1 . . H H1C2 .3097 .4480 .0519 .030 Uiso calc R 1 . . H H21G .3338 .6951 .0374 .054 Uiso calc R 1 . . H H21H .3750 .7145 .0996 .054 Uiso calc R 1 . . H H21I .2851 .8010 .0680 .054 Uiso calc R 1 . . H H22G .1045 .5426 .0390 .057 Uiso calc R 1 . . H H22H .1747 .5688 .0010 .057 Uiso calc R 1 . . H H22I .1267 .6900 .0242 .057 Uiso calc R 1 . . H H12C .3392 .5836 .1840 .037 Uiso calc R 1 . . H H13C .3020 .6546 .2616 .053 Uiso calc R 1 . . H H14C .1552 .7628 .2586 .060 Uiso calc R 1 . . H H15C .0427 .7970 .1769 .059 Uiso calc R 1 . . H H16C .0797 .7267 .0984 .040 Uiso calc R 1 . . H H1D1 .0704 .4262 .1213 .029 Uiso calc R 1 . . H H1D2 .0371 .3294 .0724 .029 Uiso calc R 1 . . H H21J -.1205 .2863 .0935 .053 Uiso calc R 1 . . H H21K -.0913 .3859 .1422 .053 Uiso calc R 1 . . H H21L -.1249 .2394 .1511 .053 Uiso calc R 1 . . H H22J .0852 .0654 .1327 .050 Uiso calc R 1 . . H H22K -.0076 .0960 .0853 .050 Uiso calc R 1 . . H H22L -.0220 .0466 .1408 .050 Uiso calc R 1 . . H H12D .0697 .4622 .2049 .034 Uiso calc R 1 . . H H13D .1508 .4870 .2942 .041 Uiso calc R 1 . . H H14D .1994 .3005 .3481 .047 Uiso calc R 1 . . H H15D .1583 .0901 .3125 .046 Uiso calc R 1 . . H H16D .0769 .0634 .2232 .038 Uiso calc R 1 . . H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Sn1 .02045(12) .02029(12) .02082(12) -.00004(10) .00504(8) .00072(10) C1A .0189(17) .0298(17) .0297(19) .0015(14) .0036(14) .0068(14) C2A .0216(18) .0250(18) .0318(19) -.0031(14) .0001(14) .0044(15) C21A .029(2) .042(2) .035(2) .0003(17) .0006(16) .0104(17) C22A .038(2) .029(2) .053(3) -.0062(17) .0004(18) .0155(17) C11A .0212(18) .0296(19) .0281(19) .0055(15) -.0018(14) .0023(15) C12A .037(2) .044(2) .059(3) .0097(19) .000(2) -.015(2) C13A .047(3) .103(4) .063(3) .032(3) .006(2) -.034(3) C14A .038(3) .130(5) .037(3) .020(3) .010(2) .007(3) C15A .036(2) .079(3) .051(3) .006(2) .013(2) .027(2) C16A .031(2) .043(2) .040(2) .0057(17) .0106(16) .0136(17) C1B .0264(18) .0217(16) .0232(17) -.0001(14) .0082(13) -.0014(14) C2B .0235(18) .0260(17) .0232(17) .0020(14) .0028(13) -.0015(14) C21B .0289(19) .037(2) .0275(19) -.0012(16) .0025(14) -.0012(15) C22B .036(2) .0276(19) .033(2) -.0010(16) .0050(16) -.0093(15) C11B .0281(19) .0290(18) .0212(17) -.0011(15) .0073(13) -.0081(14) C12B .032(2) .041(2) .032(2) .0034(18) .0109(15) .0046(17) C13B .033(2) .068(3) .043(2) -.011(2) .0120(17) .002(2) C14B .054(3) .063(3) .037(2) -.026(2) .015(2) .001(2) C15B .056(3) .043(2) .026(2) -.014(2) .0060(18) .0060(17) C16B .036(2) .038(2) .0253(19) -.0048(17) .0039(15) -.0028(15) C1C .0252(18) .0234(17) .0290(19) -.0021(14) .0119(14) .0006(14) C2C .0273(18) .0208(16) .0267(18) -.0011(14) .0084(14) .0044(14) C21C .047(2) .0276(19) .041(2) -.0025(18) .0223(17) .0084(17) C22C .049(2) .037(2) .0258(19) .0061(18) .0043(16) .0042(16) C11C .0215(17) .0161(15) .0281(18) -.0038(13) .0071(13) .0008(13) C12C .031(2) .0297(19) .0304(19) -.0070(16) .0062(15) -.0030(16) C13C .062(3) .038(2) .031(2) -.019(2) .0114(19) -.0067(17) C14C .088(4) .032(2) .045(3) -.020(2) .043(2) -.0103(18) C15C .055(3) .031(2) .075(3) .0028(19) .045(2) -.005(2) C16C .032(2) .0291(19) .041(2) .0035(17) .0130(16) .0037(17) C1D .0225(18) .0281(18) .0229(17) .0033(14) .0060(13) .0011(13) C2D .0201(18) .0298(17) .0262(18) -.0036(14) .0071(13) -.0008(14) C21D .0237(18) .051(2) .031(2) .0001(18) .0079(14) .0032(18) C22D .032(2) .035(2) .033(2) -.0101(16) .0099(15) -.0038(16) C11D .0180(17) .0301(18) .0238(18) -.0020(13) .0082(13) .0017(14) C12D .0305(19) .0300(18) .0261(19) .0014(15) .0104(14) .0023(15) C13D .039(2) .038(2) .028(2) -.0089(17) .0111(16) -.0056(16) C14D .037(2) .053(2) .0266(19) -.008(2) .0074(15) .0054(19) C15D .040(2) .044(2) .031(2) -.0031(18) .0083(17) .0160(17) C16D .031(2) .0325(19) .034(2) -.0076(16) .0122(16) .0018(16) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Sn1 C1A . 2.169(3) no Sn1 C1C . 2.173(3) no Sn1 C1D . 2.175(3) no Sn1 C1B . 2.182(3) no C1A C2A . 1.542(4) no C2A C22A . 1.529(4) no C2A C11A . 1.532(5) no C2A C21A . 1.547(4) no C11A C12A . 1.382(5) no C11A C16A . 1.390(5) no C12A C13A . 1.396(6) no C13A C14A . 1.362(7) no C14A C15A . 1.358(7) no C15A C16A . 1.381(5) no C1B C2B . 1.544(4) no C2B C21B . 1.532(4) no C2B C11B . 1.532(4) no C2B C22B . 1.553(4) no C11B C16B . 1.387(5) no C11B C12B . 1.390(5) no C12B C13B . 1.380(5) no C13B C14B . 1.383(5) no C14B C15B . 1.374(5) no C15B C16B . 1.382(5) no C1C C2C . 1.546(4) no C2C C11C . 1.530(4) no C2C C22C . 1.538(4) no C2C C21C . 1.541(4) no C11C C16C . 1.386(4) no C11C C12C . 1.394(4) no C12C C13C . 1.379(5) no C13C C14C . 1.366(6) no C14C C15C . 1.374(6) no C15C C16C . 1.392(5) no C1D C2D . 1.547(4) no C2D C22D . 1.534(4) no C2D C11D . 1.536(4) no C2D C21D . 1.545(4) no C11D C16D . 1.389(4) no C11D C12D . 1.393(4) no C12D C13D . 1.387(4) no C13D C14D . 1.379(5) no C14D C15D . 1.369(5) no C15D C16D . 1.391(5) no