data_2006124
_journal_name_full  'Acta Crystallographica'
_journal_year  1997
_journal_volume  C53
_journal_page_first  654
_journal_page_last  655
_publ_section_title
;
Bis[2-(triphenylsilyl)phenyl] Disulfide
;
loop_
_publ_author_name
 'Miller, John R.'
 'Lu, Canzhong'
 'Zheng, Yifan'
_chemical_formula_moiety  'C48 H38 S2 Si2'
_chemical_formula_sum  'C48 H38 S2 Si2'
_chemical_formula_weight  735.08
_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  9.276(6)
_cell_length_b  9.879(6)
_cell_length_c  22.499(13)
_cell_angle_alpha  92.54(4)
_cell_angle_beta  95.08(4)
_cell_angle_gamma  102.67(4)
_cell_volume  1999.4(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  291.0(10)
_exptl_crystal_density_diffrn  1.221
_diffrn_ambient_temperature  291.0(10)
_refine_ls_R_factor_obs   .0375
_refine_ls_wR_factor_obs   .1018
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
 S1  .03921(6)  .47585(6)  .85202(3)  .0495(2) Uani d . 1 . S
 S2  -.03037(7)  .46044(7)  .76301(3)  .0597(2) Uani d . 1 . S
 Si1  .39098(6)  .64333(6)  .87343(3)  .0411(2) Uani d . 1 . Si
 Si2  -.10654(6)  .33183(6)  .62422(3)  .0425(2) Uani d . 1 . Si
 C11  .3296(3)  .4484(2)  .87169(10)  .0479(5) Uani d . 1 . C
 C12  .1800(3)  .3789(2)  .86015(10)  .0505(5) Uani d . 1 . C
 C13  .1364(4)  .2350(3)  .86006(15)  .0753(8) Uani d . 1 . C
 C14  .2417(5)  .1588(3)  .8719(2)  .0982(12) Uani d . 1 . C
 C15  .3891(5)  .2245(3)  .8837(2)  .0928(11) Uani d . 1 . C
 C16  .4326(4)  .3669(3)  .88319(14)  .0686(7) Uani d . 1 . C
 C21  .5992(2)  .6964(2)  .88543(11)  .0490(5) Uani d . 1 . C
 C22  .6721(3)  .6960(3)  .94241(14)  .0641(7) Uani d . 1 . C
 C23  .8249(3)  .7364(4)  .9532(2)  .0771(9) Uani d . 1 . C
 C24  .9083(3)  .7769(4)  .9079(2)  .0840(10) Uani d . 1 . C
 C25  .8409(4)  .7802(5)  .8525(2)  .1006(13) Uani d . 1 . C
 C26  .6877(3)  .7400(4)  .8409(2)  .0788(9) Uani d . 1 . C
 C31  .3259(2)  .7055(2)  .80070(10)  .0479(5) Uani d . 1 . C
 C32  .3504(3)  .6431(3)  .74682(12)  .0677(7) Uani d . 1 . C
 C33  .3033(5)  .6899(5)  .69270(14)  .0897(11) Uani d . 1 . C
 C34  .2313(4)  .7957(5)  .6912(2)  .0949(12) Uani d . 1 . C
 C35  .2038(4)  .8563(4)  .7429(2)  .0937(11) Uani d . 1 . C
 C36  .2500(3)  .8106(3)  .79687(14)  .0688(7) Uani d . 1 . C
 C41  .3203(2)  .7213(2)  .93937(9)  .0406(5) Uani d . 1 . C
 C42  .3499(3)  .8643(3)  .95089(12)  .0535(6) Uani d . 1 . C
 C43  .2992(3)  .9246(3)  .99902(14)  .0697(8) Uani d . 1 . C
 C44  .2200(4)  .8436(4) 1.03756(14)  .0769(9) Uani d . 1 . C
 C45  .1913(3)  .7025(4) 1.02855(12)  .0743(9) Uani d . 1 . C
 C46  .2407(3)  .6413(3)  .97986(11)  .0541(6) Uani d . 1 . C
 C51  -.1973(2)  .2458(2)  .68896(10)  .0428(5) Uani d . 1 . C
 C52  -.1672(2)  .2999(2)  .74861(10)  .0500(5) Uani d . 1 . C
 C53  -.2424(3)  .2333(3)  .79343(13)  .0677(7) Uani d . 1 . C
 C54  -.3450(3)  .1092(3)  .78039(13)  .0717(8) Uani d . 1 . C
 C55  -.3768(3)  .0524(3)  .72285(13)  .0643(7) Uani d . 1 . C
 C56  -.3049(3)  .1207(2)  .67798(12)  .0526(6) Uani d . 1 . C
 C61  -.2014(2)  .2324(3)  .55290(10)  .0496(5) Uani d . 1 . C
 C62  -.3121(3)  .2755(4)  .51868(12)  .0662(7) Uani d . 1 . C
 C63  -.3855(4)  .1944(5)  .4670(2)  .0873(11) Uani d . 1 . C
 C64  -.3491(4)  .0733(4)  .45097(15)  .0853(10) Uani d . 1 . C
 C65  -.2407(4)  .0296(4)  .48346(14)  .0795(9) Uani d . 1 . C
 C66  -.1669(3)  .1088(3)  .53374(13)  .0631(7) Uani d . 1 . C
 C71  .0929(2)  .3208(2)  .62817(11)  .0499(5) Uani d . 1 . C
 C72  .1786(3)  .3659(3)  .58210(15)  .0685(7) Uani d . 1 . C
 C73  .3245(4)  .3530(4)  .5829(2)  .0887(10) Uani d . 1 . C
 C74  .3861(4)  .2946(4)  .6289(2)  .0914(11) Uani d . 1 . C
 C75  .3066(4)  .2493(4)  .6747(2)  .0948(11) Uani d . 1 . C
 C76  .1598(3)  .2614(3)  .6750(2)  .0744(8) Uani d . 1 . C
 C81  -.1384(2)  .5125(2)  .62218(10)  .0463(5) Uani d . 1 . C
 C82  -.0632(3)  .6112(3)  .58697(13)  .0632(7) Uani d . 1 . C
 C83  -.0962(4)  .7396(3)  .5829(2)  .0795(9) Uani d . 1 . C
 C84  -.2023(4)  .7747(3)  .6139(2)  .0846(10) Uani d . 1 . C
 C85  -.2780(4)  .6820(3)  .6494(2)  .0842(10) Uani d . 1 . C
 C86  -.2474(3)  .5517(3)  .65332(13)  .0643(7) Uani d . 1 . C
 H13  .032(3) .186(3) .8511(13)  .076(9) Uiso d . 1 . H
 H14  .201(4) .065(4) .8713(16)  .119(13) Uiso d . 1 . H
 H15  .455(4) .179(4) .8916(15)  .097(11) Uiso d . 1 . H
 H16  .532(3) .413(3) .8870(12)  .065(8) Uiso d . 1 . H
 H22  .620(3) .667(3) .9722(13)  .077(9) Uiso d . 1 . H
 H23  .862(4) .733(4) .9912(17)  .104(12) Uiso d . 1 . H
 H24 1.018(4) .813(3) .9165(13)  .086(9) Uiso d . 1 . H
 H25  .889(5) .805(4) .8211(19)  .134(15) Uiso d . 1 . H
 H26  .645(4) .741(3) .8060(14)  .081(10) Uiso d . 1 . H
 H32  .404(3) .554(3) .7489(13)  .081(9) Uiso d . 1 . H
 H33  .322(4) .641(4) .6611(18)  .115(13) Uiso d . 1 . H
 H34  .195(4) .830(4) .6532(18)  .118(12) Uiso d . 1 . H
 H35  .150(5) .930(4) .7406(18)  .128(14) Uiso d . 1 . H
 H36  .237(4) .853(4) .8339(16)  .100(11) Uiso d . 1 . H
 H42  .395(3) .921(3) .9247(11)  .056(7) Uiso d . 1 . H
 H43  .316(3)   1.014(3)   1.0044(13)  .079(9) Uiso d . 1 . H
 H44  .182(4) .883(3)   1.0686(15)  .087(10) Uiso d . 1 . H
 H45  .139(3) .642(3)   1.0534(13)  .077(9) Uiso d . 1 . H
 H46  .218(3) .548(3) .9738(11)  .056(7) Uiso d . 1 . H
 H53  -.223(3) .270(3) .8308(14)  .086(10) Uiso d . 1 . H
 H54  -.395(3) .067(3) .8102(13)  .080(9) Uiso d . 1 . H
 H55  -.452(3) -.031(3) .7134(12)  .075(8) Uiso d . 1 . H
 H56  -.325(3) .080(2) .6381(11)  .052(7) Uiso d . 1 . H
 H62  -.334(3) .361(3) .5289(10)  .048(7) Uiso d . 1 . H
 H63  -.443(4) .233(4) .4528(16)  .092(12) Uiso d . 1 . H
 H64  -.397(4) .020(4) .4182(17)  .108(12) Uiso d . 1 . H
 H65  -.216(4) -.054(4) .4703(17)  .114(13) Uiso d . 1 . H
 H66  -.093(4) .075(3) .5565(14)  .086(10) Uiso d . 1 . H
 H72  .130(3) .398(3) .5474(13)  .073(8) Uiso d . 1 . H
 H73  .377(4) .384(4) .5480(17)  .116(13) Uiso d . 1 . H
 H74  .499(4) .281(4) .6347(16)  .124(13) Uiso d . 1 . H
 H75  .339(4) .217(4) .7099(17)  .114(13) Uiso d . 1 . H
 H76  .103(4) .230(3) .7067(14)  .087(10) Uiso d . 1 . H
 H82  .007(3) .586(3) .5663(13)  .081(9) Uiso d . 1 . H
 H83  -.041(3) .804(3) .5598(14)  .083(9) Uiso d . 1 . H
 H84  -.223(4) .868(4) .6145(16)  .116(12) Uiso d . 1 . H
 H85  -.350(4) .706(4) .6727(16)  .106(12) Uiso d . 1 . H
 H86  -.302(3) .491(3) .6759(13)  .072(8) Uiso d . 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
 S1  .0505(3)  .0496(3)  .0451(3)  .0064(3)  .0015(2)  -.0007(2)
 S2  .0642(4)  .0570(4)  .0459(3)  -.0100(3)  -.0008(3)  .0067(3)
 Si1  .0408(3)  .0388(3)  .0451(3)  .0107(2)  .0061(2)  .0048(2)
 Si2  .0379(3)  .0468(3)  .0427(3)  .0098(2)  .0015(2)  .0046(3)
 C11  .0560(14)  .0405(11)  .0491(13)  .0142(10)  .0070(10)  .0036(10)
 C12  .0612(15)  .0407(12)  .0493(13)  .0119(11)  .0038(11)  .0011(10)
 C13  .082(2)  .0428(14)  .094(2)  .0039(14)  -.002(2)  .0020(14)
 C14  .116(3)  .038(2)  .139(3)  .020(2)  .000(2)  .005(2)
 C15  .098(3)  .054(2)  .137(3)  .040(2)  .010(2)  .012(2)
 C16  .066(2)  .0511(15)  .095(2)  .0254(14)  .011(2)  .0095(14)
 C21  .0445(12)  .0473(12)  .0575(14)  .0138(10)  .0080(10)  .0038(10)
 C22  .0501(15)  .078(2)  .066(2)  .0177(13)  .0042(13)  .0086(14)
 C23  .054(2)  .091(2)  .086(2)  .023(2)  -.009(2)  .004(2)
 C24  .042(2)  .095(2)  .112(3)  .0127(15)  .002(2)  .004(2)
 C25  .053(2)  .148(4)  .099(3)  .009(2)  .024(2)  .026(3)
 C26  .050(2)  .117(3)  .067(2)  .010(2)  .0102(15)  .017(2)
 C31  .0454(12)  .0503(13)  .0450(12)  .0032(10)  .0053(10)  .0079(10)
 C32  .075(2)  .068(2)  .052(2)  .0002(14)  .0094(13)  -.0032(13)
 C33  .100(3)  .103(3)  .045(2)  -.021(2)  .007(2)  -.004(2)
 C34  .081(2)  .124(3)  .064(2)  -.012(2)  -.011(2)  .039(2)
 C35  .097(3)  .107(3)  .085(3)  .035(2)  -.001(2)  .044(2)
 C36  .082(2)  .074(2)  .058(2)  .030(2)  .0073(14)  .0197(14)
 C41  .0345(10)  .0449(12)  .0419(11)  .0101(9)  -.0012(9)  .0020(9)
 C42  .0499(14)  .0504(14)  .059(2)  .0106(11)  .0034(12)  -.0006(12)
 C43  .067(2)  .064(2)  .077(2)  .0227(15)  -.004(2)  -.022(2)
 C44  .067(2)  .111(3)  .055(2)  .031(2)  .0020(14)  -.024(2)
 C45  .065(2)  .110(3)  .0449(15)  .009(2)  .0127(13)  .010(2)
 C46  .0578(15)  .058(2)  .0436(13)  .0076(12)  .0039(11)  .0057(11)
 C51  .0380(11)  .0424(11)  .0470(12)  .0085(9)  .0000(9)  .0048(9)
 C52  .0452(12)  .0513(13)  .0486(13)  .0010(10)  .0023(10)  .0048(10)
 C53  .067(2)  .075(2)  .050(2)  -.0079(14)  .0097(13)  .0051(13)
 C54  .067(2)  .076(2)  .062(2)  -.0122(14)  .0160(14)  .0135(15)
 C55  .055(2)  .0531(15)  .075(2)  -.0085(12)  .0060(13)  .0065(13)
 C56  .0482(13)  .0503(13)  .0562(15)  .0074(11)  -.0003(11)  -.0004(12)
 C61  .0419(12)  .0602(14)  .0442(12)  .0052(10)  .0056(10)  .0054(10)
 C62  .057(2)  .088(2)  .053(2)  .0166(15)  -.0024(12)  .0062(14)
 C63  .066(2)  .127(3)  .061(2)  .012(2)  -.013(2)  .016(2)
 C64  .085(2)  .103(3)  .051(2)  -.012(2)  .004(2)  -.011(2)
 C65  .086(2)  .075(2)  .066(2)  -.004(2)  .010(2)  -.016(2)
 C66  .065(2)  .061(2)  .058(2)  .0053(13)  .0048(13)  -.0029(13)
 C71  .0393(12)  .0508(13)  .0594(14)  .0124(10)  .0030(10)  -.0040(11)
 C72  .055(2)  .076(2)  .079(2)  .0220(14)  .0136(14)  .006(2)
 C73  .057(2)  .089(2)  .126(3)  .020(2)  .031(2)  .006(2)
 C74  .048(2)  .090(2)  .138(3)  .024(2)  .005(2)  -.011(2)
 C75  .074(2)  .109(3)  .109(3)  .049(2)  -.015(2)  .007(2)
 C76  .061(2)  .089(2)  .082(2)  .035(2)  .002(2)  .016(2)
 C81  .0412(12)  .0518(13)  .0465(12)  .0132(10)  -.0010(10)  .0065(10)
 C82  .066(2)  .060(2)  .070(2)  .0182(13)  .0200(14)  .0181(13)
 C83  .088(2)  .064(2)  .092(2)  .020(2)  .020(2)  .034(2)
 C84  .096(2)  .063(2)  .109(3)  .039(2)  .019(2)  .024(2)
 C85  .089(2)  .081(2)  .102(3)  .049(2)  .033(2)  .025(2)
 C86  .062(2)  .064(2)  .076(2)  .0245(13)  .0212(14)  .0231(14)
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
 S1 C12 . 1.783(3) yes
 S1 S2 . 2.0374(14) yes
 S2 C52 . 1.797(3) yes
 Si1 C31 . 1.869(2) yes
 Si1 C41 . 1.875(2) yes
 Si1 C21 . 1.879(3) yes
 Si1 C11 . 1.882(3) yes
 Si2 C71 . 1.872(3) yes
 Si2 C81 . 1.874(3) yes
 Si2 C61 . 1.883(3) yes
 Si2 C51 . 1.888(2) yes
 C11 C16 . 1.393(4) ?
 C11 C12 . 1.402(3) ?
 C12 C13 . 1.390(4) ?
 C13 C14 . 1.373(5) ?
 C14 C15 . 1.376(5) ?
 C15 C16 . 1.377(4) ?
 C21 C26 . 1.375(4) ?
 C21 C22 . 1.396(4) ?
 C22 C23 . 1.381(4) ?
 C23 C24 . 1.357(5) ?
 C24 C25 . 1.348(5) ?
 C25 C26 . 1.387(5) ?
 C31 C36 . 1.379(4) ?
 C31 C32 . 1.395(4) ?
 C32 C33 . 1.390(5) ?
 C33 C34 . 1.359(6) ?
 C34 C35 . 1.355(6) ?
 C35 C36 . 1.379(4) ?
 C41 C42 . 1.387(3) ?
 C41 C46 . 1.388(3) ?
 C42 C43 . 1.380(4) ?
 C43 C44 . 1.359(5) ?
 C44 C45 . 1.363(5) ?
 C45 C46 . 1.389(4) ?
 C51 C52 . 1.403(3) ?
 C51 C56 . 1.404(3) ?
 C52 C53 . 1.385(4) ?
 C53 C54 . 1.379(4) ?
 C54 C55 . 1.369(4) ?
 C55 C56 . 1.379(4) ?
 C61 C62 . 1.382(4) ?
 C61 C66 . 1.388(4) ?
 C62 C63 . 1.413(5) ?
 C63 C64 . 1.355(6) ?
 C64 C65 . 1.349(5) ?
 C65 C66 . 1.382(4) ?
 C71 C72 . 1.391(4) ?
 C71 C76 . 1.392(4) ?
 C72 C73 . 1.386(4) ?
 C73 C74 . 1.351(5) ?
 C74 C75 . 1.355(6) ?
 C75 C76 . 1.393(5) ?
 C81 C82 . 1.390(3) ?
 C81 C86 . 1.391(4) ?
 C82 C83 . 1.374(4) ?
 C83 C84 . 1.352(5) ?
 C84 C85 . 1.361(5) ?
 C85 C86 . 1.382(4) ?