#------------------------------------------------------------------------------ #$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $ #$Revision: 26029 $ #$URL: svn://www.crystallography.net/cod/cif/2/2011256.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2011256 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2000 _journal_volume 56 _journal_page_first e317 _journal_page_last e317 _publ_section_title ; Methyltriphenylstibonium tetrafluoroborate ; loop_ _publ_author_name 'Low, John Nicolson' 'Ferguson, George' 'Wardell, James L.' _chemical_formula_moiety 'C19 H18 Sb, B F4' _chemical_formula_sum 'C19 H18 B F4 Sb' _chemical_formula_iupac '[Sb (C H3) (C6 H5)3] B F4 ' _chemical_formula_weight 454.90 _symmetry_cell_setting 'triclinic' _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 12.874(4) _cell_length_b 13.760(5) _cell_length_c 24.974(7) _cell_angle_alpha 98.82(3) _cell_angle_beta 93.97(2) _cell_angle_gamma 117.80(3) _cell_volume 3817(2) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 1.583 _diffrn_ambient_temperature 293(2) 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 Sb1 .60137(6) .15922(5) .11741(2) .07008(19) Uani d . 1 . . Sb Sb2 .92577(6) .81482(6) .08202(3) .07138(19) Uani d . 1 . . Sb Sb3 .20603(5) .08417(5) .43431(2) .05697(16) Uani d . 1 . . Sb Sb4 .83974(5) .39753(5) .38364(2) .06388(18) Uani d . 1 . . Sb C17 .5375(9) -.0145(8) .0938(4) .095(3) Uani d . 1 . . C C111 .7691(5) .2341(6) .1656(3) .073(2) Uani d G 1 . . C C112 .8369(7) .1796(5) .1642(3) .098(3) Uani d G 1 . . C C113 .9519(7) .2340(8) .1932(4) .120(4) Uani d G 1 . . C C114 .9993(5) .3430(9) .2237(3) .118(5) Uani d G 1 . . C C115 .9315(7) .3975(6) .2251(3) .113(4) Uani d G 1 . . C C116 .8165(7) .3431(6) .1960(3) .102(3) Uani d G 1 . . C C121 .6228(7) .2524(6) .0570(2) .078(3) Uani d G 1 . . C C122 .7360(6) .3149(7) .0448(3) .108(4) Uani d G 1 . . C C123 .7529(7) .3798(7) .0054(4) .133(5) Uani d G 1 . . C C124 .6564(9) .3822(7) -.0218(3) .129(5) Uani d G 1 . . C C125 .5432(8) .3197(8) -.0096(3) .118(4) Uani d G 1 . . C C126 .5263(5) .2548(6) .0298(3) .093(3) Uani d G 1 . . C C131 .4800(5) .1783(6) .1637(2) .075(3) Uani d G 1 . . C C132 .4888(6) .2833(5) .1806(3) .093(3) Uani d G 1 . . C C133 .4074(7) .2943(6) .2113(3) .099(4) Uani d G 1 . . C C134 .3173(6) .2003(8) .2252(3) .118(5) Uani d G 1 . . C C135 .3085(6) .0953(7) .2083(3) .113(4) Uani d G 1 . . C C136 .3899(7) .0843(5) .1776(3) .097(3) Uani d G 1 . . C C27 .9939(9) .9877(8) .0945(4) .090(3) Uani d . 1 . . C C211 .8840(6) .7387(6) -.0009(2) .076(3) Uani d G 1 . . C C212 .7983(7) .7477(7) -.0336(4) .123(5) Uani d G 1 . . C C213 .7633(8) .6931(9) -.0885(3) .164(8) Uani d G 1 . . C C214 .8139(10) .6295(8) -.1107(2) .173(10) Uani d G 1 . . C C215 .8996(9) .6205(7) -.0780(4) .184(9) Uani d G 1 . . C C216 .9346(7) .6751(7) -.0231(3) .112(4) Uani d G 1 . . C C221 .7637(5) .7367(6) .1101(3) .080(3) Uani d G 1 . . C C222 .7271(6) .7939(5) .1483(3) .103(4) Uani d G 1 . . C C223 .6193(7) .7362(8) .1665(3) .116(4) Uani d G 1 . . C C224 .5482(5) .6213(8) .1465(4) .115(4) Uani d G 1 . . C C225 .5848(7) .5642(5) .1082(4) .123(4) Uani d G 1 . . C C226 .6926(7) .6219(6) .0900(3) .110(4) Uani d G 1 . . C C231 1.0413(7) .7700(8) .1206(3) .088(3) Uani d G 1 . . C C232 1.1501(8) .7937(8) .1042(4) .140(6) Uani d G 1 . . C C233 1.2225(8) .7586(10) .1295(5) .163(7) Uani d G 1 . . C C234 1.1860(12) .6998(11) .1712(5) .191(9) Uani d G 1 . . C C235 1.0772(13) .6761(12) .1876(5) .274(16) Uani d G 1 . . C C236 1.0048(9) .7112(11) .1623(4) .196(9) Uani d G 1 . . C C37 .0205(7) -.0083(8) .4161(4) .073(2) Uani d . 1 . . C C311 .2901(4) -.0073(4) .4061(2) .0579(19) Uani d G 1 . . C C312 .2372(4) -.0971(5) .3612(2) .079(3) Uani d G 1 . . C C313 .2961(6) -.1560(5) .3439(2) .096(3) Uani d G 1 . . C C314 .4080(6) -.1252(5) .3715(3) .082(3) Uani d G 1 . . C C315 .4609(4) -.0355(5) .4164(2) .077(3) Uani d G 1 . . C C316 .4020(5) .0235(4) .4337(2) .065(2) Uani d G 1 . . C C321 .2649(5) .1370(4) .51910(17) .0540(18) Uani d G 1 . . C C322 .2593(5) .0587(4) .5496(3) .069(2) Uani d G 1 . . C C323 .2909(6) .0905(6) .6063(2) .092(3) Uani d G 1 . . C C324 .3281(6) .2007(7) .63267(17) .085(3) Uani d G 1 . . C C325 .3338(6) .2790(5) .6022(2) .104(4) Uani d G 1 . . C C326 .3021(6) .2472(4) .5454(2) .082(3) Uani d G 1 . . C C331 .2774(5) .2276(4) .4013(2) .0572(19) Uani d G 1 . . C C332 .2061(4) .2564(5) .3703(2) .079(3) Uani d G 1 . . C C333 .2579(7) .3493(6) .3464(2) .093(3) Uani d G 1 . . C C334 .3810(7) .4134(5) .3533(3) .092(3) Uani d G 1 . . C C335 .4523(5) .3845(5) .3842(3) .089(3) Uani d G 1 . . C C336 .4005(5) .2917(5) .4082(2) .073(2) Uani d G 1 . . C C47 1.0216(8) .4480(9) .4003(4) .085(3) Uani d . 1 . . C C411 .8191(5) .5072(4) .3395(2) .062(2) Uani d G 1 . . C C412 .7118(4) .4713(4) .3059(2) .073(2) Uani d G 1 . . C C413 .6985(5) .5428(6) .2757(2) .086(3) Uani d G 1 . . C C414 .7923(7) .6502(5) .2792(3) .089(3) Uani d G 1 . . C C415 .8995(6) .6861(4) .3128(3) .109(4) Uani d G 1 . . C C416 .9129(4) .6146(5) .3430(3) .097(3) Uani d G 1 . . C C421 .7425(5) .2357(4) .3354(2) .066(2) Uani d G 1 . . C C422 .7977(5) .1769(6) .3126(2) .076(3) Uani d G 1 . . C C423 .7294(8) .0683(6) .2816(3) .096(3) Uani d G 1 . . C C424 .6060(8) .0185(4) .2733(2) .109(4) Uani d G 1 . . C C425 .5509(5) .0774(6) .2960(3) .096(3) Uani d G 1 . . C C426 .6191(5) .1859(6) .3271(3) .084(3) Uani d G 1 . . C C431 .7541(5) .3912(5) .4512(2) .059(2) Uani d G 1 . . C C432 .7202(6) .2995(4) .4761(3) .084(3) Uani d G 1 . . C C433 .6639(6) .2946(5) .5219(3) .095(3) Uani d G 1 . . C C434 .6416(6) .3814(7) .5429(2) .101(4) Uani d G 1 . . C C435 .6755(6) .4731(5) .5180(3) .095(3) Uani d G 1 . . C C436 .7318(6) .4780(4) .4722(2) .073(2) Uani d G 1 . . C B1 .7574(4) .0216(4) .00319(19) .086(3) Uani d G 1 . . B F11 .7430(5) -.0564(5) .0321(3) .131(2) Uani d G 1 . . F F12 .8599(5) .0566(6) -.0156(3) .165(3) Uani d G 1 . . F F13 .6683(5) -.0215(7) -.0385(3) .210(6) Uani d G 1 . . F F14 .7573(8) .1080(5) .0354(3) .201(5) Uani d G 1 . . F B2 .9775(3) .2502(3) .49727(15) .077(3) Uani d G 1 . . B F21 1.0063(5) .3543(3) .5221(2) .114(2) Uani d G 1 . . F F22 .9116(5) .2224(4) .44831(16) .118(2) Uani d G 1 . . F F23 .9154(6) .1787(4) .5280(2) .145(3) Uani d G 1 . . F F24 1.0763(4) .2442(5) .4910(3) .154(3) Uani d G 1 . . F B3 .3642(7) .6080(5) .2625(3) .110(5) Uani d G 1 . . B F31 .4144(7) .7095(5) .2509(3) .146(3) Uani d G 1 . . F F32 .4387(13) .5661(10) .2587(5) .306(11) Uani d G 1 . . F F33 .3385(13) .6139(8) .3130(4) .299(10) Uani d G 1 . . F F34 .2653(11) .5404(8) .2269(6) .441(18) Uani d G 1 . . F B4 -.0009(4) -.0196(4) .25962(18) .087(3) Uani d G 1 . . B F41 .0892(5) -.0085(6) .2943(2) .136(3) Uani d G 1 . . F F42 -.1033(4) -.0784(6) .2770(3) .149(3) Uani d G 1 . . F F43 -.0031(6) -.0727(9) .21017(19) .221(6) Uani d G 1 . . F F44 .0134(7) .0814(5) .2570(4) .254(7) Uani d G 1 . . F H17A .5022 -.0503 .1228 .143 Uiso calc PR .50 . . H H17B .6022 -.0283 .0865 .143 Uiso calc PR .50 . . H H17C .4789 -.0444 .0613 .143 Uiso calc PR .50 . . H H17D .5534 -.0317 .0575 .143 Uiso calc PR .50 . . H H17E .4533 -.0537 .0939 .143 Uiso calc PR .50 . . H H17F .5766 -.0376 .1191 .143 Uiso calc PR .50 . . H H112 .8052 .1067 .1438 .118 Uiso calc R 1 . . H H113 .9973 .1975 .1923 .144 Uiso calc R 1 . . H H114 1.0763 .3794 .2431 .141 Uiso calc R 1 . . H H115 .9632 .4704 .2454 .135 Uiso calc R 1 . . H H116 .7711 .3796 .1970 .122 Uiso calc R 1 . . H H122 .8006 .3133 .0630 .129 Uiso calc R 1 . . H H123 .8287 .4216 -.0028 .160 Uiso calc R 1 . . H H124 .6677 .4256 -.0482 .154 Uiso calc R 1 . . H H125 .4786 .3213 -.0278 .141 Uiso calc R 1 . . H H126 .4505 .2129 .0380 .111 Uiso calc R 1 . . H H132 .5491 .3461 .1713 .112 Uiso calc R 1 . . H H133 .4133 .3646 .2226 .119 Uiso calc R 1 . . H H134 .2629 .2077 .2457 .142 Uiso calc R 1 . . H H135 .2482 .0325 .2176 .136 Uiso calc R 1 . . H H136 .3840 .0140 .1663 .116 Uiso calc R 1 . . H H27A 1.0498 1.0171 .0699 .134 Uiso calc PR .50 . . H H27B 1.0333 1.0217 .1317 .134 Uiso calc PR .50 . . H H27C .9302 1.0042 .0875 .134 Uiso calc PR .50 . . H H27D .9591 1.0116 .1228 .134 Uiso calc PR .50 . . H H27E .9755 1.0070 .0611 .134 Uiso calc PR .50 . . H H27F 1.0787 1.0245 .1053 .134 Uiso calc PR .50 . . H H212 .7645 .7903 -.0187 .148 Uiso calc R 1 . . H H213 .7060 .6992 -.1104 .197 Uiso calc R 1 . . H H214 .7905 .5930 -.1475 .208 Uiso calc R 1 . . H H215 .9334 .5779 -.0929 .220 Uiso calc R 1 . . H H216 .9919 .6691 -.0012 .134 Uiso calc R 1 . . H H222 .7747 .8708 .1618 .124 Uiso calc R 1 . . H H223 .5948 .7745 .1921 .139 Uiso calc R 1 . . H H224 .4761 .5827 .1586 .138 Uiso calc R 1 . . H H225 .5372 .4873 .0948 .148 Uiso calc R 1 . . H H226 .7171 .5836 .0644 .132 Uiso calc R 1 . . H H232 1.1745 .8330 .0763 .168 Uiso calc R 1 . . H H233 1.2953 .7744 .1185 .196 Uiso calc R 1 . . H H234 1.2344 .6763 .1881 .229 Uiso calc R 1 . . H H235 1.0528 .6368 .2155 .329 Uiso calc R 1 . . H H236 .9320 .6954 .1733 .235 Uiso calc R 1 . . H H37A -.0123 .0415 .4232 .110 Uiso calc PR .50 . . H H37B -.0083 -.0631 .4387 .110 Uiso calc PR .50 . . H H37C -.0030 -.0456 .3781 .110 Uiso calc PR .50 . . H H37D -.0034 -.0863 .4035 .110 Uiso calc PR .50 . . H H37E -.0074 .0183 .3880 .110 Uiso calc PR .50 . . H H37F -.0127 .0008 .4486 .110 Uiso calc PR .50 . . H H312 .1624 -.1177 .3428 .095 Uiso calc R 1 . . H H313 .2607 -.2161 .3139 .115 Uiso calc R 1 . . H H314 .4474 -.1647 .3599 .098 Uiso calc R 1 . . H H315 .5357 -.0149 .4349 .092 Uiso calc R 1 . . H H316 .4374 .0835 .4638 .078 Uiso calc R 1 . . H H322 .2344 -.0150 .5320 .083 Uiso calc R 1 . . H H323 .2872 .0381 .6267 .110 Uiso calc R 1 . . H H324 .3493 .2219 .6707 .102 Uiso calc R 1 . . H H325 .3587 .3527 .6198 .125 Uiso calc R 1 . . H H326 .3059 .2996 .5250 .098 Uiso calc R 1 . . H H332 .1237 .2136 .3657 .094 Uiso calc R 1 . . H H333 .2102 .3686 .3257 .112 Uiso calc R 1 . . H H334 .4157 .4755 .3372 .110 Uiso calc R 1 . . H H335 .5347 .4274 .3889 .107 Uiso calc R 1 . . H H336 .4482 .2724 .4289 .088 Uiso calc R 1 . . H H47A 1.0339 .3850 .3883 .127 Uiso calc PR .50 . . H H47B 1.0491 .4758 .4390 .127 Uiso calc PR .50 . . H H47C 1.0650 .5063 .3811 .127 Uiso calc PR .50 . . H H47D 1.0648 .5264 .4173 .127 Uiso calc PR .50 . . H H47E 1.0495 .4356 .3666 .127 Uiso calc PR .50 . . H H47F 1.0337 .4051 .4245 .127 Uiso calc PR .50 . . H H412 .6491 .3994 .3035 .087 Uiso calc R 1 . . H H413 .6267 .5188 .2532 .103 Uiso calc R 1 . . H H414 .7833 .6980 .2590 .107 Uiso calc R 1 . . H H415 .9623 .7579 .3152 .131 Uiso calc R 1 . . H H416 .9847 .6386 .3655 .117 Uiso calc R 1 . . H H422 .8802 .2102 .3182 .091 Uiso calc R 1 . . H H423 .7663 .0289 .2664 .115 Uiso calc R 1 . . H H424 .5603 -.0541 .2525 .131 Uiso calc R 1 . . H H425 .4683 .0441 .2905 .115 Uiso calc R 1 . . H H426 .5823 .2253 .3423 .101 Uiso calc R 1 . . H H432 .7351 .2414 .4621 .100 Uiso calc R 1 . . H H433 .6412 .2333 .5386 .114 Uiso calc R 1 . . H H434 .6039 .3781 .5736 .121 Uiso calc R 1 . . H H435 .6606 .5311 .5320 .114 Uiso calc R 1 . . H H436 .7545 .5393 .4556 .087 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 Sb1 .0705(4) .0741(4) .0631(4) .0342(3) .0150(3) .0078(3) Sb2 .0713(4) .0766(4) .0653(4) .0356(3) .0099(3) .0133(3) Sb3 .0502(3) .0615(3) .0595(3) .0284(3) .0094(2) .0087(3) Sb4 .0623(4) .0666(4) .0596(3) .0288(3) .0095(3) .0127(3) C17 .088(7) .076(7) .098(8) .026(6) .032(6) -.005(6) C111 .071(6) .084(7) .060(5) .035(5) .016(4) .013(5) C112 .085(8) .109(9) .109(8) .051(7) .015(6) .034(7) C113 .090(9) .154(13) .138(12) .071(9) .019(8) .051(10) C114 .089(9) .165(14) .073(7) .038(10) .011(6) .034(8) C115 .092(9) .112(10) .089(8) .022(8) .001(7) -.002(7) C116 .080(7) .107(9) .106(8) .044(7) .010(6) -.004(7) C121 .094(7) .082(7) .062(5) .046(6) .020(5) .013(5) C122 .111(9) .135(11) .110(9) .074(9) .041(7) .055(8) C123 .126(11) .146(12) .169(14) .076(10) .073(10) .090(11) C124 .169(14) .142(12) .107(10) .089(12) .038(10) .062(9) C125 .112(10) .121(10) .100(9) .042(9) -.013(8) .028(8) C126 .092(8) .107(8) .075(7) .046(7) .004(6) .022(6) C131 .076(6) .107(8) .046(5) .051(6) .010(4) .007(5) C132 .085(7) .083(7) .097(8) .034(6) .023(6) -.004(6) C133 .093(8) .107(9) .079(7) .047(7) .006(6) -.023(6) C134 .086(8) .182(14) .083(8) .076(10) .008(6) -.018(9) C135 .096(9) .127(11) .116(9) .049(8) .044(7) .028(8) C136 .093(8) .103(8) .097(8) .048(7) .036(6) .016(6) C27 .090(7) .077(7) .099(8) .042(6) .012(6) .008(6) C211 .072(6) .080(6) .064(6) .023(5) .021(5) .024(5) C212 .157(13) .130(11) .079(8) .071(10) -.008(8) .023(7) C213 .161(15) .199(18) .070(9) .039(13) -.007(9) .028(10) C214 .148(15) .174(17) .063(8) -.028(13) .023(9) .013(9) C215 .164(16) .175(16) .116(12) .016(13) .077(12) -.035(12) C216 .087(8) .141(11) .085(8) .048(8) .013(6) -.012(7) C221 .089(7) .082(7) .067(6) .036(6) .019(5) .027(5) C222 .082(8) .115(9) .085(7) .030(7) .016(6) .000(7) C223 .082(8) .158(13) .094(8) .050(9) .024(7) .010(8) C224 .094(9) .137(12) .099(9) .035(9) .030(7) .047(8) C225 .115(11) .108(10) .133(11) .033(9) .038(9) .050(9) C226 .108(9) .106(10) .112(9) .044(8) .041(8) .027(8) C231 .102(8) .113(8) .068(6) .066(7) .005(5) .028(6) C232 .086(9) .159(13) .193(15) .063(9) -.003(9) .078(12) C233 .126(12) .162(15) .199(18) .081(12) -.036(12) .022(13) C234 .20(2) .24(2) .172(18) .14(2) -.040(15) .061(16) C235 .24(3) .31(3) .33(3) .15(3) -.03(3) .18(3) C236 .192(18) .25(2) .203(19) .125(18) .052(15) .151(18) C37 .054(5) .090(7) .071(6) .033(5) .007(4) .009(5) C311 .055(5) .059(5) .065(5) .033(4) .008(4) .008(4) C312 .064(6) .071(6) .089(7) .030(5) .004(5) -.006(5) C313 .095(8) .079(7) .096(8) .041(6) .000(6) -.019(6) C314 .091(7) .071(6) .097(7) .048(6) .026(6) .020(6) C315 .079(6) .094(7) .079(6) .059(6) .012(5) .022(5) C316 .071(6) .061(5) .067(5) .035(5) .016(4) .010(4) C321 .039(4) .052(4) .060(5) .016(4) .007(3) .003(4) C322 .061(5) .064(5) .088(7) .030(4) .011(5) .027(5) C323 .087(7) .136(10) .084(7) .071(7) .025(6) .051(7) C324 .082(7) .107(8) .062(6) .045(7) .010(5) .010(6) C325 .119(9) .089(8) .085(8) .043(7) .021(7) -.012(6) C326 .108(8) .060(6) .075(6) .040(6) .023(6) .011(5) C331 .067(5) .063(5) .049(4) .038(4) .011(4) .011(4) C332 .088(7) .087(7) .068(6) .051(6) .004(5) .010(5) C333 .130(10) .101(8) .066(6) .072(8) .001(6) .017(6) C334 .123(10) .092(8) .061(6) .050(8) .021(6) .019(5) C335 .096(8) .093(7) .082(7) .042(6) .032(6) .032(6) C336 .070(6) .075(6) .083(6) .037(5) .018(5) .029(5) C47 .065(6) .105(8) .080(6) .041(6) -.002(5) .012(6) C411 .068(5) .061(5) .049(4) .027(4) .006(4) .005(4) C412 .076(6) .066(6) .064(5) .026(5) .010(5) .013(4) C413 .092(7) .095(8) .067(6) .050(7) -.010(5) .003(5) C414 .116(9) .073(7) .087(7) .051(7) .016(6) .022(6) C415 .104(9) .056(6) .136(10) .014(6) -.014(8) .032(6) C416 .077(7) .070(7) .115(9) .016(6) -.017(6) .019(6) C421 .078(6) .067(5) .057(5) .037(5) .016(4) .013(4) C422 .091(7) .074(6) .058(5) .036(6) .009(5) .016(5) C423 .153(11) .085(8) .071(7) .073(8) .034(7) .015(6) C424 .176(14) .067(7) .066(7) .044(9) .020(8) .014(5) C425 .093(8) .070(7) .083(7) .007(6) -.005(6) .016(6) C426 .086(7) .078(7) .083(7) .035(6) .018(5) .015(5) C431 .059(5) .055(5) .053(5) .018(4) .011(4) .015(4) C432 .097(7) .077(7) .078(6) .041(6) .018(6) .022(5) C433 .103(8) .071(7) .092(8) .021(6) .020(6) .034(6) C434 .093(8) .117(10) .061(6) .026(7) .022(5) .016(6) C435 .099(8) .095(8) .077(7) .042(7) .021(6) -.009(6) C436 .075(6) .060(5) .066(5) .019(5) .013(5) .014(4) B1 .072(8) .101(10) .094(9) .046(7) .025(7) .024(8) F11 .109(5) .131(6) .170(7) .061(5) .024(5) .068(5) F12 .109(6) .194(9) .205(9) .069(6) .075(6) .069(7) F13 .155(8) .187(9) .152(7) -.032(7) -.065(6) .089(7) F14 .261(12) .130(7) .244(11) .109(8) .139(10) .034(7) B2 .076(7) .052(6) .090(8) .019(6) -.001(6) .020(6) F21 .112(5) .080(4) .136(5) .038(4) .014(4) .012(4) F22 .139(6) .114(5) .085(4) .054(4) -.010(4) .016(4) F23 .170(7) .092(5) .101(5) .005(5) -.003(5) .032(4) F24 .109(6) .122(6) .219(9) .065(5) -.003(6) -.014(6) B3 .149(14) .087(10) .138(13) .082(11) .058(11) .047(9) F31 .161(7) .132(6) .186(8) .083(6) .068(6) .083(6) F32 .59(3) .40(2) .260(13) .44(2) .258(18) .232(15) F33 .58(3) .163(9) .285(14) .234(15) .300(18) .111(10) F34 .31(2) .27(2) .42(3) -.076(17) -.19(2) .062(19) B4 .080(8) .096(9) .071(8) .033(7) .006(6) .017(7) F41 .117(5) .194(8) .114(5) .089(6) .002(4) .038(5) F42 .114(6) .174(8) .137(6) .047(6) .027(5) .050(6) F43 .148(8) .339(16) .084(5) .075(9) .004(5) -.060(7) F44 .239(13) .128(8) .365(18) .073(8) -.085(12) .081(10) 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 Sb1 C121 . 2.077(5) no Sb1 C111 . 2.087(5) no Sb1 C131 . 2.095(5) no Sb1 C17 . 2.099(10) no Sb2 C27 . 2.077(10) no Sb2 C211 . 2.081(5) no Sb2 C221 . 2.083(5) no Sb2 C231 . 2.089(6) no Sb3 C331 . 2.082(4) no Sb3 C311 . 2.088(4) no Sb3 C37 . 2.090(8) no Sb3 C321 . 2.093(4) no Sb4 C431 . 2.070(4) no Sb4 C421 . 2.085(5) no Sb4 C47 . 2.096(9) no Sb4 C411 . 2.099(4) no C17 H17A . .96 no C17 H17B . .96 no C17 H17C . .96 no C17 H17D . .96 no C17 H17E . .96 no C17 H17F . .96 no C111 C112 . 1.39 no C111 C116 . 1.39 no C112 C113 . 1.39 no C112 H112 . .93 no C113 C114 . 1.39 no C113 H113 . .93 no C114 C115 . 1.39 no C114 H114 . .93 no C115 C116 . 1.39 no C115 H115 . .93 no C116 H116 . .93 no C121 C122 . 1.39 no C121 C126 . 1.39 no C122 C123 . 1.39 no C122 H122 . .93 no C123 C124 . 1.39 no C123 H123 . .93 no C124 C125 . 1.39 no C124 H124 . .93 no C125 C126 . 1.39 no C125 H125 . .93 no C126 H126 . .93 no C131 C132 . 1.39 no C131 C136 . 1.39 no C132 C133 . 1.39 no C132 H132 . .93 no C133 C134 . 1.39 no C133 H133 . .93 no C134 C135 . 1.39 no C134 H134 . .93 no C135 C136 . 1.39 no C135 H135 . .93 no C136 H136 . .93 no C27 H27A . .96 no C27 H27B . .96 no C27 H27C . .96 no C27 H27D . .96 no C27 H27E . .96 no C27 H27F . .96 no C211 C212 . 1.39 no C211 C216 . 1.39 no C212 C213 . 1.39 no C212 H212 . .93 no C213 C214 . 1.39 no C213 H213 . .93 no C214 C215 . 1.39 no C214 H214 . .93 no C215 C216 . 1.39 no C215 H215 . .93 no C216 H216 . .93 no C221 C222 . 1.39 no C221 C226 . 1.39 no C222 C223 . 1.39 no C222 H222 . .93 no C223 C224 . 1.39 no C223 H223 . .93 no C224 C225 . 1.39 no C224 H224 . .93 no C225 C226 . 1.39 no C225 H225 . .93 no C226 H226 . .93 no C231 C232 . 1.39 no C231 C236 . 1.39 no C232 C233 . 1.39 no C232 H232 . .93 no C233 C234 . 1.39 no C233 H233 . .93 no C234 C235 . 1.39 no C234 H234 . .93 no C235 C236 . 1.39 no C235 H235 . .93 no C236 H236 . .93 no C37 H37A . .96 no C37 H37B . .96 no C37 H37C . .96 no C37 H37D . .96 no C37 H37E . .96 no C37 H37F . .96 no C311 C312 . 1.39 no C311 C316 . 1.39 no C312 C313 . 1.39 no C312 H312 . .93 no C313 C314 . 1.39 no C313 H313 . .93 no C314 C315 . 1.39 no C314 H314 . .93 no C315 C316 . 1.39 no C315 H315 . .93 no C316 H316 . .93 no C321 C322 . 1.39 no C321 C326 . 1.39 no C322 C323 . 1.39 no C322 H322 . .93 no C323 C324 . 1.39 no C323 H323 . .93 no C324 C325 . 1.39 no C324 H324 . .93 no C325 C326 . 1.39 no C325 H325 . .93 no C326 H326 . .93 no C331 C332 . 1.39 no C331 C336 . 1.39 no C332 C333 . 1.39 no C332 H332 . .93 no C333 C334 . 1.39 no C333 H333 . .93 no C334 C335 . 1.39 no C334 H334 . .93 no C335 C336 . 1.39 no C335 H335 . .93 no C336 H336 . .93 no C47 H47A . .96 no C47 H47B . .96 no C47 H47C . .96 no C47 H47D . .96 no C47 H47E . .96 no C47 H47F . .96 no C411 C412 . 1.39 no C411 C416 . 1.39 no C412 C413 . 1.39 no C412 H412 . .93 no C413 C414 . 1.39 no C413 H413 . .93 no C414 C415 . 1.39 no C414 H414 . .93 no C415 C416 . 1.39 no C415 H415 . .93 no C416 H416 . .93 no C421 C422 . 1.39 no C421 C426 . 1.39 no C422 C423 . 1.39 no C422 H422 . .93 no C423 C424 . 1.39 no C423 H423 . .93 no C424 C425 . 1.39 no C424 H424 . .93 no C425 C426 . 1.39 no C425 H425 . .93 no C426 H426 . .93 no C431 C432 . 1.39 no C431 C436 . 1.39 no C432 C433 . 1.39 no C432 H432 . .93 no C433 C434 . 1.39 no C433 H433 . .93 no C434 C435 . 1.39 no C434 H434 . .93 no C435 C436 . 1.39 no C435 H435 . .93 no C436 H436 . .93 no B1 F12 . 1.3257 no B1 F13 . 1.3274 no B1 F14 . 1.3298 no B1 F11 . 1.3326 no B2 F22 . 1.3306 no B2 F24 . 1.3316 no B2 F21 . 1.3318 no B2 F23 . 1.3354 no B3 F33 . 1.3249 no B3 F34 . 1.3269 no B3 F31 . 1.3275 no B3 F32 . 1.3311 no B4 F43 . 1.3261 no B4 F44 . 1.3266 no B4 F42 . 1.3316 no B4 F41 . 1.3317 no _cod_database_code 2011256