data_2012563 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2002 _journal_volume 58 _journal_page_first m144 _journal_page_last m146 _publ_section_title ; A bimetallic liquid crystal: catena-poly[[tetrakis(decanoato-\k^2^O:O')diruthenium(II,III)(Ru-Ru)]- \m-octanesulfonato-\k^2^-O:O'] ; loop_ _publ_author_name "Zelcer, Andr\'es" "Chaia, Zulema D\'ebora" 'Cukiernik, Fabio D.' 'Catellano, Eduardo E.' 'Piro, Oscar E.' _chemical_formula_moiety 'C48 H93 O11 Ru2 S' _chemical_formula_sum 'C48 H93 O11 Ru2 S' _chemical_formula_iupac '[Ru2 (C10 H19 O2)4 (C8 H17 O3 S)]' _chemical_formula_weight 1080.43 _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 8.00200(10) _cell_length_b 13.3040(4) _cell_length_c 26.7230(6) _cell_angle_alpha 83.427(2) _cell_angle_beta 85.0450(10) _cell_angle_gamma 74.0510(10) _cell_volume 2712.90(10) _cell_formula_units_Z 2 _cell_measurement_temperature 120(2) _exptl_crystal_density_diffrn 1.321 _diffrn_ambient_temperature 120(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 Ru1 .54718(4) .56896(2) .481342(11) .02727(10) Uani d . 1 . . Ru O11 .7762(3) .5099(2) .51494(11) .0358(7) Uani d . 1 . . O C10 .7978(5) .4231(4) .54323(16) .0354(10) Uani d D 1 . . C C11 .9650(13) .3702(12) .5682(4) .031(3) Uani d PD .610(6) A 1 C H11A 1.0630 .3628 .5424 .038 Uiso calc PR .610(6) A 1 H H11B .9616 .2987 .5826 .038 Uiso calc PR .610(6) A 1 H C12 .9986(9) .4295(6) .6099(2) .0351(17) Uani d PD .610(6) A 1 C H12A 1.1229 .4027 .6174 .042 Uiso calc PR .610(6) A 1 H H12B .9782 .5045 .5971 .042 Uiso calc PR .610(6) A 1 H C13 .8889(13) .4225(8) .6589(3) .043(2) Uani d PD .610(6) A 1 C H13A .7641 .4506 .6521 .052 Uiso calc PR .610(6) A 1 H H13B .9085 .3479 .6723 .052 Uiso calc PR .610(6) A 1 H C14 .9331(17) .4832(9) .6980(3) .047(3) Uani d PD .610(6) A 1 C H14A .8980 .5589 .6863 .057 Uiso calc PR .610(6) A 1 H H14B 1.0609 .4622 .7007 .057 Uiso calc PR .610(6) A 1 H C15 .8477(11) .4672(7) .7497(3) .049(2) Uani d PD .610(6) A 1 C H15A .8792 .3912 .7610 .059 Uiso calc PR .610(6) A 1 H H15B .7198 .4906 .7474 .059 Uiso calc PR .610(6) A 1 H C16 .898(3) .5251(14) .7891(4) .061(5) Uani d PD .610(6) A 1 C H16A .8584 .6014 .7789 .073 Uiso calc PR .610(6) A 1 H H16B 1.0263 .5057 .7894 .073 Uiso calc PR .610(6) A 1 H C17 .8251(13) .5048(8) .8420(3) .070(3) Uani d PD .610(6) A 1 C H17A .8587 .4281 .8515 .083 Uiso calc PR .610(6) A 1 H H17B .6964 .5280 .8421 .083 Uiso calc PR .610(6) A 1 H C18 .883(2) .5580(9) .8820(4) .070(6) Uani d PD .610(6) A 1 C H18A 1.0118 .5356 .8817 .084 Uiso calc PR .610(6) A 1 H H18B .8478 .6349 .8729 .084 Uiso calc PR .610(6) A 1 H C19 .8103(19) .5350(10) .9348(4) .109(5) Uani d PD .610(6) A 1 C H19A .6836 .5483 .9347 .163 Uiso calc PR .610(6) A 1 H H19B .8382 .5805 .9574 .163 Uiso calc PR .610(6) A 1 H H19C .8617 .4613 .9467 .163 Uiso calc PR .610(6) A 1 H C11' .9790(15) .389(2) .5618(5) .046(8) Uani d PD .390(6) A 2 C H11C 1.0387 .4456 .5524 .056 Uiso calc PR .390(6) A 2 H H11D 1.0478 .3252 .5466 .056 Uiso calc PR .390(6) A 2 H C12' .9605(15) .3684(9) .6185(4) .037(3) Uani d PD .390(6) A 2 C H12C .8694 .3309 .6272 .045 Uiso calc PR .390(6) A 2 H H12D 1.0716 .3218 .6306 .045 Uiso calc PR .390(6) A 2 H C13' .914(2) .4671(10) .6458(4) .041(4) Uani d PD .390(6) A 2 C H13C .9979 .5085 .6344 .049 Uiso calc PR .390(6) A 2 H H13D .7967 .5104 .6365 .049 Uiso calc PR .390(6) A 2 H C14' .914(3) .4445(11) .7027(5) .047(5) Uani d PD .390(6) A 2 C H14C 1.0251 .3927 .7110 .056 Uiso calc PR .390(6) A 2 H H14D .8194 .4105 .7138 .056 Uiso calc PR .390(6) A 2 H C15' .8910(18) .5362(10) .7336(5) .051(4) Uani d PD .390(6) A 2 C H15C .7763 .5865 .7273 .061 Uiso calc PR .390(6) A 2 H H15D .9818 .5727 .7219 .061 Uiso calc PR .390(6) A 2 H C16' .902(5) .5052(17) .7897(5) .067(10) Uani d PD .390(6) A 2 C H16C 1.0153 .4533 .7957 .080 Uiso calc PR .390(6) A 2 H H16D .8094 .4700 .8013 .080 Uiso calc PR .390(6) A 2 H C17' .884(2) .5948(12) .8214(5) .063(4) Uani d PD .390(6) A 2 C H17C .9735 .6320 .8093 .076 Uiso calc PR .390(6) A 2 H H17D .7683 .6452 .8171 .076 Uiso calc PR .390(6) A 2 H C18' .904(7) .558(2) .8766(6) .143(19) Uani d PD .390(6) A 2 C H18C .8140 .5210 .8885 .172 Uiso calc PR .390(6) A 2 H H18D 1.0191 .5072 .8807 .172 Uiso calc PR .390(6) A 2 H C19' .887(3) .6458(19) .9092(7) .115(8) Uani d PD .390(6) A 2 C H19D .9738 .6842 .8972 .172 Uiso calc PR .390(6) A 2 H H19E .9073 .6165 .9442 .172 Uiso calc PR .390(6) A 2 H H19F .7702 .6939 .9074 .172 Uiso calc PR .390(6) A 2 H O12 .4468(3) .6485(2) .54201(10) .0304(6) Uani d . 1 . . O C20 .3667(5) .6064(3) .57747(15) .0291(9) Uani d . 1 . . C C21 .2839(6) .6692(3) .62074(15) .0343(9) Uani d . 1 . . C H21A .1564 .6791 .6218 .041 Uiso calc R 1 . . H H21B .3055 .7394 .6145 .041 Uiso calc R 1 . . H C22 .3498(6) .6192(3) .67198(15) .0354(9) Uani d . 1 . . C H22A .3194 .5516 .6801 .042 Uiso calc R 1 . . H H22B .4782 .6046 .6708 .042 Uiso calc R 1 . . H C23 .2702(7) .6911(4) .71269(16) .0476(12) Uani d . 1 . . C H23A .1424 .7026 .7142 .057 Uiso calc R 1 . . H H23B .2944 .7599 .7027 .057 Uiso calc R 1 . . H C24 .3337(7) .6522(4) .76535(16) .0494(13) Uani d . 1 . . C H24A .2972 .5879 .7775 .059 Uiso calc R 1 . . H H24B .4625 .6336 .7637 .059 Uiso calc R 1 . . H C25 .2623(9) .7344(4) .80275(18) .0670(18) Uani d . 1 . . C H25A .2960 .7992 .7897 .080 Uiso calc R 1 . . H H25B .1336 .7516 .8045 .080 Uiso calc R 1 . . H C26 .3244(9) .7012(4) .85593(18) .0680(18) Uani d . 1 . . C H26A .4531 .6769 .8541 .082 Uiso calc R 1 . . H H26B .2795 .6413 .8707 .082 Uiso calc R 1 . . H C27 .2657(11) .7895(5) .8907(2) .088(2) Uani d . 1 . . C H27A .3078 .8501 .8755 .105 Uiso calc R 1 . . H H27B .1368 .8125 .8932 .105 Uiso calc R 1 . . H C28 .3314(11) .7577(5) .9436(2) .089(2) Uani d . 1 . . C H28A .4587 .7259 .9410 .106 Uiso calc R 1 . . H H28B .2762 .7039 .9607 .106 Uiso calc R 1 . . H C29 .2913(12) .8519(6) .9757(2) .109(3) Uani d . 1 . . C H29A .3425 .9063 .9584 .163 Uiso calc R 1 . . H H29B .3409 .8286 1.0086 .163 Uiso calc R 1 . . H H29C .1649 .8805 .9804 .163 Uiso calc R 1 . . H O13 .3190(4) .6253(2) .44773(10) .0349(7) Uani d . 1 . . O O14 .6494(4) .4866(2) .42149(10) .0339(7) Uani d . 1 . . O Ru2 .12772(4) .94178(2) .489274(12) .02826(10) Uani d . 1 . . Ru O21 .2279(4) 1.0638(2) .46494(10) .0296(6) Uani d . 1 . . O O22 .0445(4) .9479(2) .41892(10) .0319(6) Uani d . 1 . . O O23 .0241(4) .8202(2) .51409(10) .0296(6) Uani d . 1 . . O C30 -.1327(6) .8421(3) .53318(14) .0303(9) Uani d . 1 . . C C31 -.2082(6) .7551(3) .55553(15) .0328(9) Uani d . 1 . . C H31A -.1124 .6915 .5634 .039 Uiso calc R 1 . . H H31B -.2786 .7390 .5304 .039 Uiso calc R 1 . . H C32 -.3221(6) .7817(3) .60336(15) .0359(10) Uani d . 1 . . C H32A -.3634 .7199 .6171 .043 Uiso calc R 1 . . H H32B -.4256 .8398 .5945 .043 Uiso calc R 1 . . H C33 -.2308(6) .8135(4) .64418(16) .0398(10) Uani d . 1 . . C H33A -.1216 .7580 .6505 .048 Uiso calc R 1 . . H H33B -.1984 .8787 .6311 .048 Uiso calc R 1 . . H C34 -.3335(7) .8316(4) .69354(18) .0523(13) Uani d . 1 . . C H34A -.3523 .7640 .7090 .063 Uiso calc R 1 . . H H34B -.4492 .8802 .6869 .063 Uiso calc R 1 . . H C35 -.2485(7) .8764(4) .73094(16) .0496(13) Uani d . 1 . . C H35A -.2382 .9464 .7163 .060 Uiso calc R 1 . . H H35B -.1290 .8307 .7352 .060 Uiso calc R 1 . . H C36 -.3418(9) .8878(6) .7826(2) .078(2) Uani d . 1 . . C H36A -.4646 .9278 .7783 .094 Uiso calc R 1 . . H H36B -.3416 .8170 .7988 .094 Uiso calc R 1 . . H C37 -.2641(8) .9419(5) .81750(19) .0681(18) Uani d . 1 . . C H37A -.2692 1.0138 .8019 .082 Uiso calc R 1 . . H H37B -.1398 .9038 .8205 .082 Uiso calc R 1 . . H C38 -.3520(11) .9496(7) .8704(2) .111(3) Uani d . 1 . . C H38A -.4780 .9833 .8677 .133 Uiso calc R 1 . . H H38B -.3388 .8778 .8873 .133 Uiso calc R 1 . . H C39 -.2775(11) 1.0119(6) .9028(2) .106(3) Uani d . 1 . . C H39A -.1571 .9738 .9097 .159 Uiso calc R 1 . . H H39B -.3475 1.0213 .9348 .159 Uiso calc R 1 . . H H39C -.2800 1.0808 .8849 .159 Uiso calc R 1 . . H O24 .2043(4) .9355(2) .55986(10) .0321(6) Uani d . 1 . . O C40 .1036(6) .9907(3) .59170(15) .0315(9) Uani d . 1 . . C C41 .1579(6) .9777(3) .64436(15) .0387(10) Uani d . 1 . . C H41A .2858 .9658 .6432 .046 Uiso calc R 1 . . H H41B .1312 .9136 .6617 .046 Uiso calc R 1 . . H C42 .0754(7) 1.0681(3) .67596(15) .0408(11) Uani d . 1 . . C H42A .0994 1.1332 .6590 .049 Uiso calc R 1 . . H H42B -.0524 1.0788 .6791 .049 Uiso calc R 1 . . H C43 .1462(8) 1.0462(4) .72793(18) .0584(15) Uani d . 1 . . C H43A .2738 1.0359 .7242 .070 Uiso calc R 1 . . H H43B .1249 .9796 .7439 .070 Uiso calc R 1 . . H C44 .0690(8) 1.1315(4) .76321(17) .0609(16) Uani d . 1 . . C H44A .0912 1.1982 .7478 .073 Uiso calc R 1 . . H H44B -.0587 1.1422 .7672 .073 Uiso calc R 1 . . H C45 .1444(9) 1.1048(5) .81501(19) .078(2) Uani d . 1 . . C H45A .2719 1.0946 .8107 .094 Uiso calc R 1 . . H H45B .1236 1.0374 .8300 .094 Uiso calc R 1 . . H C46 .0688(9) 1.1879(5) .85182(18) .084(2) Uani d . 1 . . C H46A .0911 1.2552 .8374 .101 Uiso calc R 1 . . H H46B -.0589 1.1987 .8562 .101 Uiso calc R 1 . . H C47 .1473(10) 1.1566(6) .9034(2) .096(3) Uani d . 1 . . C H47A .2747 1.1468 .8989 .115 Uiso calc R 1 . . H H47B .1270 1.0884 .9173 .115 Uiso calc R 1 . . H C48 .0718(12) 1.2373(7) .9411(2) .117(4) Uani d . 1 . . C H48A -.0554 1.2468 .9463 .141 Uiso calc R 1 . . H H48B .0918 1.3057 .9276 .141 Uiso calc R 1 . . H C49 .1573(13) 1.2014(8) .9919(2) .149(5) Uani d . 1 . . C H49A .1403 1.1327 1.0049 .223 Uiso calc R 1 . . H H49B .1039 1.2526 1.0162 .223 Uiso calc R 1 . . H H49C .2822 1.1958 .9871 .223 Uiso calc R 1 . . H S .52875(17) .81235(9) .42757(4) .0417(3) Uani d . 1 . . S O1 .6311(4) .7040(2) .44037(11) .0327(6) Uani d . 1 . . O O2 .3906(4) .8406(2) .46754(11) .0409(7) Uani d . 1 . . O O3 .6357(6) .8829(3) .41500(14) .0628(11) Uani d . 1 . . O C50 .4225(7) .8121(4) .37157(18) .0496(12) Uani d . 1 . . C H50A .3273 .7776 .3802 .060 Uiso calc R 1 . . H H50B .3692 .8856 .3584 .060 Uiso calc R 1 . . H C51 .5419(7) .7568(5) .33057(17) .0543(14) Uani d . 1 . . C H51A .5882 .6819 .3427 .065 Uiso calc R 1 . . H H51B .6416 .7878 .3235 .065 Uiso calc R 1 . . H C52 .4525(8) .7641(5) .28188(18) .0607(16) Uani d . 1 . . C H52A .3420 .7443 .2901 .073 Uiso calc R 1 . . H H52B .4226 .8382 .2672 .073 Uiso calc R 1 . . H C53 .5556(9) .6972(4) .24270(18) .0677(18) Uani d . 1 . . C H53A .5767 .6227 .2563 .081 Uiso calc R 1 . . H H53B .6703 .7126 .2366 .081 Uiso calc R 1 . . H C54 .4730(9) .7112(5) .19292(19) .076(2) Uani d . 1 . . C H54A .3544 .7018 .1997 .091 Uiso calc R 1 . . H H54B .4600 .7847 .1785 .091 Uiso calc R 1 . . H C55 .5641(11) .6408(5) .1535(2) .090(3) Uani d . 1 . . C H55A .5727 .5673 .1672 .108 Uiso calc R 1 . . H H55B .6843 .6480 .1475 .108 Uiso calc R 1 . . H C56 .4825(13) .6593(6) .1039(2) .112(3) Uani d . 1 . . C H56A .3621 .6524 .1100 .134 Uiso calc R 1 . . H H56B .4744 .7327 .0901 .134 Uiso calc R 1 . . H C57 .5743(14) .5878(6) .0643(2) .136(4) Uani d . 1 . . C H57A .6983 .5854 .0613 .204 Uiso calc R 1 . . H H57B .5231 .6146 .0318 .204 Uiso calc R 1 . . H H57C .5613 .5169 .0740 .204 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 Ru1 .01993(18) .03526(19) .02970(18) -.00955(13) .00094(13) -.01225(13) O11 .0189(15) .0479(18) .0449(17) -.0099(13) -.0035(13) -.0183(14) C10 .020(2) .053(3) .033(2) -.0045(19) -.0011(18) -.018(2) C11 .020(5) .041(5) .036(5) -.011(4) .006(4) -.015(5) C12 .024(4) .041(4) .040(4) -.009(3) -.004(3) -.002(3) C13 .032(5) .057(6) .034(5) -.001(5) -.004(4) -.003(4) C14 .047(6) .051(7) .044(5) -.012(6) -.005(4) -.006(5) C15 .042(5) .053(5) .046(5) .001(4) -.005(4) -.010(4) C16 .064(11) .051(7) .067(12) -.003(7) -.024(8) -.016(6) C17 .068(7) .081(7) .044(5) .017(5) -.019(5) -.022(5) C18 .084(11) .068(10) .046(8) .010(8) -.021(8) -.026(7) C19 .140(13) .099(10) .063(7) .026(9) -.028(8) -.035(7) C11' .022(10) .073(17) .038(10) -.005(9) -.004(8) .002(8) C12' .026(6) .045(7) .042(7) -.012(5) -.013(5) .006(5) C13' .040(9) .049(9) .026(7) .000(7) -.008(6) -.002(6) C14' .074(12) .027(8) .043(8) -.022(8) -.006(7) .007(6) C15' .048(8) .058(9) .048(8) -.012(7) -.003(6) -.018(7) C16' .10(2) .064(16) .028(12) -.014(13) .009(12) -.006(8) C17' .066(10) .078(11) .045(8) -.017(8) .001(7) -.011(7) C18' .23(5) .15(4) .07(2) -.08(3) .00(3) -.01(2) C19' .120(19) .17(2) .069(12) -.042(17) -.007(12) -.048(14) O12 .0258(15) .0345(15) .0327(15) -.0076(12) -.0019(12) -.0124(12) C20 .019(2) .036(2) .033(2) -.0066(16) .0004(17) -.0111(17) C21 .030(2) .039(2) .033(2) -.0038(18) -.0006(18) -.0124(17) C22 .038(3) .036(2) .031(2) -.0069(18) .0028(19) -.0092(17) C23 .052(3) .051(3) .033(2) .003(2) -.010(2) -.013(2) C24 .065(4) .041(3) .035(2) .002(2) -.009(2) -.008(2) C25 .090(5) .057(3) .037(3) .018(3) -.021(3) -.017(2) C26 .094(5) .058(3) .036(3) .011(3) -.014(3) -.013(2) C27 .137(7) .067(4) .037(3) .024(4) -.034(4) -.018(3) C28 .127(6) .082(5) .038(3) .015(4) -.029(4) -.018(3) C29 .180(9) .090(5) .041(3) .004(5) -.032(4) -.023(3) O13 .0240(16) .0473(18) .0327(15) -.0050(13) -.0035(13) -.0107(13) O14 .0256(16) .0435(17) .0364(15) -.0123(13) .0045(13) -.0167(13) Ru2 .0346(2) .02031(16) .02742(17) -.00524(13) .00640(14) -.00361(12) O21 .0337(16) .0229(13) .0312(14) -.0075(11) .0045(12) -.0036(11) O22 .0388(17) .0249(14) .0286(14) -.0047(12) .0029(13) -.0021(11) O23 .0342(16) .0211(13) .0321(14) -.0072(11) .0101(13) -.0058(11) C30 .040(3) .025(2) .0271(19) -.0115(17) .0020(18) -.0046(15) C31 .038(2) .030(2) .032(2) -.0118(18) .0004(19) -.0034(17) C32 .038(3) .037(2) .033(2) -.0119(19) .0014(19) -.0001(17) C33 .045(3) .043(3) .033(2) -.014(2) .000(2) -.0043(18) C34 .048(3) .065(3) .038(3) -.004(2) .003(2) -.014(2) C35 .054(3) .053(3) .032(2) .002(2) -.001(2) -.006(2) C36 .069(4) .116(6) .040(3) -.001(4) .006(3) -.034(3) C37 .080(4) .071(4) .036(3) .012(3) -.005(3) -.014(3) C38 .097(6) .168(8) .051(4) .008(5) .002(4) -.051(5) C39 .147(8) .103(6) .044(3) .021(5) -.023(4) -.029(4) O24 .0374(17) .0237(14) .0309(14) -.0030(12) .0053(13) -.0030(11) C40 .042(3) .0216(19) .029(2) -.0090(17) .0086(18) .0002(15) C41 .051(3) .028(2) .031(2) -.0009(19) .000(2) -.0010(17) C42 .051(3) .034(2) .030(2) .000(2) .002(2) -.0031(17) C43 .080(4) .045(3) .035(2) .012(3) -.009(3) -.007(2) C44 .072(4) .061(3) .032(2) .015(3) -.003(3) -.011(2) C45 .100(5) .074(4) .030(3) .028(4) -.006(3) -.011(3) C46 .100(5) .092(5) .029(3) .037(4) -.014(3) -.021(3) C47 .113(6) .104(5) .035(3) .038(4) -.014(3) -.016(3) C48 .145(8) .133(7) .030(3) .048(6) -.013(4) -.030(4) C49 .174(10) .194(10) .029(3) .045(7) -.020(5) -.027(5) S .0465(7) .0398(6) .0407(6) -.0133(5) .0043(5) -.0119(5) O1 .0269(16) .0337(15) .0384(16) -.0082(12) -.0002(13) -.0080(12) O2 .0450(19) .0381(17) .0324(15) .0007(14) .0065(14) -.0100(13) O3 .088(3) .056(2) .055(2) -.041(2) .026(2) -.0176(17) C50 .052(3) .048(3) .041(3) .000(2) .000(2) -.008(2) C51 .048(3) .074(4) .035(2) .000(3) -.002(2) -.022(2) C52 .062(4) .073(4) .035(2) .009(3) -.009(3) -.016(2) C53 .092(5) .062(4) .036(3) .009(3) -.013(3) -.015(2) C54 .101(5) .074(4) .034(3) .012(3) -.015(3) -.011(3) C55 .134(7) .071(4) .039(3) .027(4) -.023(4) -.020(3) C56 .175(9) .094(5) .039(3) .024(5) -.033(4) -.026(3) C57 .240(11) .080(5) .047(4) .046(6) -.047(5) -.027(3) 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 Ru1 O12 . 2.023(3) yes Ru1 O14 . 2.028(3) yes Ru1 O13 . 2.020(3) yes Ru1 O11 . 2.029(3) yes Ru1 O1 . 2.228(3) yes Ru1 Ru1 2_666 2.2680(6) yes O11 C10 . 1.284(5) yes C10 O13 2_666 1.265(5) yes C10 C11 . 1.504(8) yes C10 C11' . 1.505(9) yes C11 C12 . 1.518(9) no C11 H11A . .9900 no C11 H11B . .9900 no C12 C13 . 1.522(8) no C12 H12A . .9900 no C12 H12B . .9900 no C13 C14 . 1.510(8) no C13 H13A . .9900 no C13 H13B . .9900 no C14 C15 . 1.507(8) no C14 H14A . .9900 no C14 H14B . .9900 no C15 C16 . 1.514(9) no C15 H15A . .9900 no C15 H15B . .9900 no C16 C17 . 1.504(9) no C16 H16A . .9900 no C16 H16B . .9900 no C17 C18 . 1.516(8) no C17 H17A . .9900 no C17 H17B . .9900 no C18 C19 . 1.512(9) no C18 H18A . .9900 no C18 H18B . .9900 no C19 H19A . .9800 no C19 H19B . .9800 no C19 H19C . .9800 no C11' C12' . 1.510(10) no C11' H11C . .9900 no C11' H11D . .9900 no C12' C13' . 1.516(9) no C12' H12C . .9900 no C12' H12D . .9900 no C13' C14' . 1.516(9) no C13' H13C . .9900 no C13' H13D . .9900 no C14' C15' . 1.512(9) no C14' H14C . .9900 no C14' H14D . .9900 no C15' C16' . 1.510(10) no C15' H15C . .9900 no C15' H15D . .9900 no C16' C17' . 1.510(10) no C16' H16C . .9900 no C16' H16D . .9900 no C17' C18' . 1.510(10) no C17' H17C . .9900 no C17' H17D . .9900 no C18' C19' . 1.510(10) no C18' H18C . .9900 no C18' H18D . .9900 no C19' H19D . .9800 no C19' H19E . .9800 no C19' H19F . .9800 no O12 C20 . 1.262(5) yes C20 O14 2_666 1.275(5) yes C20 C21 . 1.502(5) yes C21 C22 . 1.523(5) no C21 H21A . .9900 no C21 H21B . .9900 no C22 C23 . 1.513(6) no C22 H22A . .9900 no C22 H22B . .9900 no C23 C24 . 1.523(6) no C23 H23A . .9900 no C23 H23B . .9900 no C24 C25 . 1.526(6) no C24 H24A . .9900 no C24 H24B . .9900 no C25 C26 . 1.523(6) no C25 H25A . .9900 no C25 H25B . .9900 no C26 C27 . 1.528(7) no C26 H26A . .9900 no C26 H26B . .9900 no C27 C28 . 1.524(7) no C27 H27A . .9900 no C27 H27B . .9900 no C28 C29 . 1.545(8) no C28 H28A . .9900 no C28 H28B . .9900 no C29 H29A . .9800 no C29 H29B . .9800 no C29 H29C . .9800 no O13 C10 2_666 1.265(5) yes O14 C20 2_666 1.275(5) yes Ru2 O24 . 2.019(3) yes Ru2 O21 . 2.021(3) yes Ru2 O23 . 2.035(3) yes Ru2 O22 . 2.034(3) yes Ru2 O2 . 2.233(3) yes Ru2 Ru2 2_576 2.2732(6) yes O21 C30 2_576 1.278(5) yes O22 C40 2_576 1.275(5) yes O23 C30 . 1.282(5) yes C30 O21 2_576 1.278(5) yes C30 C31 . 1.491(6) yes C31 C32 . 1.521(6) no C31 H31A . .9900 no C31 H31B . .9900 no C32 C33 . 1.522(6) no C32 H32A . .9900 no C32 H32B . .9900 no C33 C34 . 1.500(6) no C33 H33A . .9900 no C33 H33B . .9900 no C34 C35 . 1.515(7) no C34 H34A . .9900 no C34 H34B . .9900 no C35 C36 . 1.515(7) no C35 H35A . .9900 no C35 H35B . .9900 no C36 C37 . 1.508(8) no C36 H36A . .9900 no C36 H36B . .9900 no C37 C38 . 1.524(8) no C37 H37A . .9900 no C37 H37B . .9900 no C38 C39 . 1.520(10) no C38 H38A . .9900 no C38 H38B . .9900 no C39 H39A . .9800 no C39 H39B . .9800 no C39 H39C . .9800 no O24 C40 . 1.270(5) no C40 O22 2_576 1.275(5) yes C40 C41 . 1.486(5) yes C41 C42 . 1.515(6) no C41 H41A . .9900 no C41 H41B . .9900 no C42 C43 . 1.512(6) no C42 H42A . .9900 no C42 H42B . .9900 no C43 C44 . 1.522(6) no C43 H43A . .9900 no C43 H43B . .9900 no C44 C45 . 1.523(7) no C44 H44A . .9900 no C44 H44B . .9900 no C45 C46 . 1.528(7) no C45 H45A . .9900 no C45 H45B . .9900 no C46 C47 . 1.530(7) no C46 H46A . .9900 no C46 H46B . .9900 no C47 C48 . 1.525(8) no C47 H47A . .9900 no C47 H47B . .9900 no C48 C49 . 1.540(8) no C48 H48A . .9900 no C48 H48B . .9900 no C49 H49A . .9800 no C49 H49B . .9800 no C49 H49C . .9800 no S O3 . 1.430(4) yes S O1 . 1.467(3) yes S O2 . 1.471(3) yes S C50 . 1.785(5) yes C50 C51 . 1.507(6) yes C50 H50A . .9900 no C50 H50B . .9900 no C51 C52 . 1.519(6) yes C51 H51A . .9900 no C51 H51B . .9900 no C52 C53 . 1.493(7) no C52 H52A . .9900 no C52 H52B . .9900 no C53 C54 . 1.506(7) no C53 H53A . .9900 no C53 H53B . .9900 no C54 C55 . 1.495(7) no C54 H54A . .9900 no C54 H54B . .9900 no C55 C56 . 1.494(8) no C55 H55A . .9900 no C55 H55B . .9900 no C56 C57 . 1.510(9) no C56 H56A . .9900 no C56 H56B . .9900 no C57 H57A . .9800 no C57 H57B . .9800 no C57 H57C . .9800 no