#------------------------------------------------------------------------------ #$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $ #$Revision: 26029 $ #$URL: svn://www.crystallography.net/cod/cif/2/2007245.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_2007245 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1998 _journal_volume 54 _journal_page_first 588 _journal_page_last 591 _publ_section_title ; 1-Phenyl-3,3-bis(triethylphosphine)-1,2-dicarba-3-platina-closo-dodecaborane 0.5-Dichloromethane Solvate ; loop_ _publ_author_name 'Thomas, Rhodri Ll.' 'Welch, Alan J.' 'Kyd, Gwenda O.' _chemical_formula_moiety 'C20.50 H46 B9 Cl P2 Pt' _chemical_formula_sum 'C20.5 H46 B9 Cl P2 Pt' _[local]_cod_chemical_formula_sum_orig 'C20.50 H46 B9 Cl P2 Pt' _chemical_formula_iupac '[Pt(C8 H15 B9)(C6 H15 P)2], 0.5CH2 Cl2' _chemical_formula_weight 682.34 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P n a 21' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' 'x+1/2, -y+1/2, z' '-x+1/2, y+1/2, z+1/2' _cell_length_a 33.354(7) _cell_length_b 10.260(2) _cell_length_c 17.400(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 5954.5(2) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 1.522 _diffrn_ambient_temperature 293(2) _refine_ls_wR_factor_obs .075 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 Pt3A .981701(11) .61930(4) .34026(3) .04536(11) Uani d . 1 . Pt P1A .98211(10) .6629(5) .2110(2) .0525(9) Uani d . 1 . P C31A .9506(5) .8044(15) .1841(8) .074(4) Uani d . 1 . C H31A .9230(5) .7833(15) .1964(8) .089 Uiso calc R 1 . H H31B .9583(5) .8772(15) .2165(8) .089 Uiso calc R 1 . H C32A .9519(5) .8483(17) .1042(8) .080(5) Uani d . 1 . C H32A .9344(5) .9217(17) .0978(8) .120 Uiso calc R 1 . H H32B .9434(5) .7787(17) .0711(8) .120 Uiso calc R 1 . H H32C .9789(5) .8732(17) .0913(8) .120 Uiso calc R 1 . H C33A .9607(4) .5368(13) .1511(8) .064(4) Uani d . 1 . C H33A .9558(4) .5726(13) .1004(8) .076 Uiso calc R 1 . H H33B .9801(4) .4671(13) .1456(8) .076 Uiso calc R 1 . H C34A .9223(4) .4802(15) .1810(9) .080(5) Uani d . 1 . C H34A .9129(4) .4143(15) .1462(9) .120 Uiso calc R 1 . H H34B .9025(4) .5478(15) .1853(9) .120 Uiso calc R 1 . H H34C .9269(4) .4421(15) .2306(9) .120 Uiso calc R 1 . H C35A 1.0303(3) .6985(14) .1631(10) .070(3) Uani d . 1 . C H35A 1.0484(3) .6259(14) .1713(10) .084 Uiso calc R 1 . H H35B 1.0257(3) .7061(14) .1082(10) .084 Uiso calc R 1 . H C36A 1.0504(6) .8234(18) .1919(12) .113(7) Uani d . 1 . C H36A 1.0752(6) .8364(18) .1649(12) .170 Uiso calc R 1 . H H36B 1.0556(6) .8159(18) .2459(12) .170 Uiso calc R 1 . H H36C 1.0329(6) .8962(18) .1828(12) .170 Uiso calc R 1 . H P2A 1.02307(10) .4440(3) .3396(2) .0585(8) Uani d . 1 . P C21A 1.0741(5) .474(2) .3748(11) .098(7) Uani d . 1 . C H21A 1.0723(5) .510(2) .4264(11) .117 Uiso calc R 1 . H H21D 1.0881(5) .392(2) .3782(11) .117 Uiso calc R 1 . H C22A 1.0988(5) .565(2) .3269(13) .120(8) Uani d . 1 . C H22A 1.1248(5) .575(2) .3497(13) .181 Uiso calc R 1 . H H22B 1.0858(5) .649(2) .3243(13) .181 Uiso calc R 1 . H H22C 1.1016(5) .530(2) .2760(13) .181 Uiso calc R 1 . H C23A 1.0310(5) .3561(14) .2513(8) .075(4) Uani d . 1 . C H23A 1.0053(5) .3241(14) .2332(8) .090 Uiso calc R 1 . H H23B 1.0411(5) .4165(14) .2130(8) .090 Uiso calc R 1 . H C24A 1.0607(6) .2379(18) .2571(10) .100(6) Uani d . 1 . C H24A 1.0632(6) .1970(18) .2077(10) .150 Uiso calc R 1 . H H24B 1.0507(6) .1759(18) .2937(10) .150 Uiso calc R 1 . H H24C 1.0866(6) .2686(18) .2734(10) .150 Uiso calc R 1 . H C25A 1.0029(6) .3147(15) .4032(9) .091(5) Uani d . 1 . C H25A 1.0242(6) .2531(15) .4142(9) .109 Uiso calc R 1 . H H25B .9950(6) .3542(15) .4515(9) .109 Uiso calc R 1 . H C26A .9678(3) .2414(9) .3715(5) .135(9) Uani d . 1 . C H26A .9594(3) .1768(9) .4079(5) .203 Uiso calc R 1 . H H26B .9754(3) .1996(9) .3243(5) .203 Uiso calc R 1 . H H26C .9462(3) .3009(9) .3618(5) .203 Uiso calc R 1 . H C11A 1.0409(3) .8309(9) .4489(5) .054(3) Uani d R 1 . C C12A 1.0533(3) .9351(9) .4037(5) .077(4) Uani d R 1 . C H12A 1.0348(3) .9804(9) .3741(5) .092 Uiso calc R 1 . H C13A 1.0935(4) .9718(18) .4029(11) .088(5) Uani d . 1 . C H13A 1.1016(4) 1.0408(18) .3719(11) .105 Uiso calc R 1 . H C14A 1.1207(5) .9095(17) .4460(10) .081(5) Uani d . 1 . C H14A 1.1470(5) .9397(17) .4470(10) .098 Uiso calc R 1 . H C15A 1.1105(4) .8016(18) .4890(10) .086(5) Uani d . 1 . C H15A 1.1298(4) .7539(18) .5154(10) .103 Uiso calc R 1 . H C16A 1.0701(5) .7671(18) .4911(9) .086(5) Uani d . 1 . C H16A 1.0623(5) .6981(18) .5224(9) .103 Uiso calc R 1 . H C1A .9973(3) .7901(13) .4526(7) .051(3) Uani d . 1 . C C2A .9653(4) .8383(13) .3928(8) .061(3) Uani d . 1 . C H2A .9769(4) .9050(13) .3485(8) .073 Uiso calc R 1 . H B4A .9844(4) .633(2) .4718(14) .059(6) Uani d . 1 . B H4A 1.0089(4) .564(2) .4810(14) .071 Uiso calc R 1 . H B5A .9777(5) .7642(18) .5412(9) .067(4) Uani d . 1 . B H5A .9950(5) .7717(18) .5948(9) .081 Uiso calc R 1 . H B6A .9648(5) .9022(16) .4866(10) .062(4) Uani d . 1 . B H6A .9725(5) 1.0022(16) .5039(10) .074 Uiso calc R 1 . H B7A .9252(4) .7288(16) .3754(9) .056(4) Uani d . 1 . B H7A .9074(4) .7277(16) .3221(9) .067 Uiso calc R 1 . H B8A .9358(5) .5883(17) .4349(8) .060(4) Uani d . 1 . B H8A .9246(5) .4885(17) .4265(8) .072 Uiso calc R 1 . H B9A .9397(4) .6459(17) .5305(10) .061(4) Uani d . 1 . B H9A .9330(4) .5793(17) .5783(10) .074 Uiso calc R 1 . H B10A .9272(5) .811(2) .5352(10) .072(5) Uani d . 1 . B H10A .9108(5) .853(2) .5845(10) .086 Uiso calc R 1 . H B11A .9201(5) .864(2) .4355(11) .077(5) Uani d . 1 . B H11A .8996(5) .943(2) .4180(11) .092 Uiso calc R 1 . H B12A .9028(5) .708(2) .4676(10) .073(5) Uani d . 1 . B H12B .8707(5) .687(2) .4738(10) .087 Uiso calc R 1 . H Pt3B .770645(11) .55173(4) .15974(2) .04231(10) Uani d . 1 . Pt P1B .76948(10) .6007(5) .2882(2) .0543(9) Uani d . 1 . P C31B .7966(5) .7512(14) .3091(7) .061(4) Uani d . 1 . C H31C .8246(5) .7380(14) .2960(7) .074 Uiso calc R 1 . H H31D .7863(5) .8190(14) .2756(7) .074 Uiso calc R 1 . H C32B .7945(6) .801(2) .3921(9) .098(6) Uani d . 1 . C H32D .8098(6) .880(2) .3965(9) .147 Uiso calc R 1 . H H32E .8055(6) .737(2) .4261(9) .147 Uiso calc R 1 . H H32F .7671(6) .818(2) .4056(9) .147 Uiso calc R 1 . H C33B .7941(4) .4818(15) .3494(8) .071(4) Uani d . 1 . C H33C .7948(4) .5146(15) .4017(8) .086 Uiso calc R 1 . H H33D .7786(4) .4017(15) .3494(8) .086 Uiso calc R 1 . H C34B .8366(5) .4526(17) .3228(9) .093(5) Uani d . 1 . C H34D .8486(5) .3896(17) .3566(9) .139 Uiso calc R 1 . H H34E .8522(5) .5314(17) .3237(9) .139 Uiso calc R 1 . H H34F .8360(5) .4185(17) .2715(9) .139 Uiso calc R 1 . H C35B .7211(4) .6266(17) .3339(10) .081(4) Uani d . 1 . C H35C .7039(4) .5520(17) .3245(10) .097 Uiso calc R 1 . H H35D .7247(4) .6351(17) .3890(10) .097 Uiso calc R 1 . H C36B .7012(6) .749(2) .3027(11) .111(7) Uani d . 1 . C H36D .6757(6) .761(2) .3274(11) .167 Uiso calc R 1 . H H36E .6973(6) .740(2) .2483(11) .167 Uiso calc R 1 . H H36F .7180(6) .823(2) .3126(11) .167 Uiso calc R 1 . H P2B .72924(10) .3763(3) .1611(2) .0528(7) Uani d . 1 . P C21B .7221(5) .2859(14) .2501(8) .070(4) Uani d . 1 . C H21B .7482(5) .2593(14) .2692(8) .084 Uiso calc R 1 . H H21C .7103(5) .3438(14) .2879(8) .084 Uiso calc R 1 . H C22B .6957(7) .1654(17) .2430(10) .114(8) Uani d . 1 . C H22D .6935(7) .1238(17) .2923(10) .171 Uiso calc R 1 . H H22E .7074(7) .1059(17) .2068(10) .171 Uiso calc R 1 . H H22F .6695(7) .1906(17) .2255(10) .171 Uiso calc R 1 . H C23B .6797(4) .4031(15) .1223(10) .075(4) Uani d . 1 . C H23C .6822(4) .4400(15) .0711(10) .090 Uiso calc R 1 . H H23D .6662(4) .3199(15) .1175(10) .090 Uiso calc R 1 . H C24B .6542(4) .4934(18) .1711(15) .104(6) Uani d . 1 . C H24D .6284(4) .5039(18) .1476(15) .155 Uiso calc R 1 . H H24E .6671(4) .5768(18) .1751(15) .155 Uiso calc R 1 . H H24F .6510(4) .4566(18) .2215(15) .155 Uiso calc R 1 . H C25B .7484(5) .2489(15) .0969(8) .072(4) Uani d . 1 . C H25C .7271(5) .1863(15) .0872(8) .086 Uiso calc R 1 . H H25D .7557(5) .2880(15) .0482(8) .086 Uiso calc R 1 . H C26B .7837(2) .1791(9) .1288(5) .093(6) Uani d . 1 . C H26D .7924(2) .1138(9) .0929(5) .139 Uiso calc R 1 . H H26E .7765(2) .1384(9) .1765(5) .139 Uiso calc R 1 . H H26F .8051(2) .2401(9) .1375(5) .139 Uiso calc R 1 . H C11B .7108(2) .7574(9) .0478(5) .054(3) Uani d R 1 . C C12B .6822(2) .6904(9) .0051(5) .063(4) Uani d R 1 . C H12D .6898(2) .6184(9) -.0240(5) .076 Uiso calc R 1 . H C13B .6438(4) .7290(17) .0057(9) .079(4) Uani d . 1 . C H13B .6254(4) .6845(17) -.0247(9) .095 Uiso calc R 1 . H C14B .6307(5) .8317(18) .0494(11) .091(5) Uani d . 1 . C H14B .6037(5) .8535(18) .0502(11) .109 Uiso calc R 1 . H C15B .6575(5) .9018(16) .0918(11) .087(5) Uani d . 1 . C H15B .6492(5) .9727(16) .1210(11) .105 Uiso calc R 1 . H C16B .6984(4) .8636(15) .0900(10) .077(4) Uani d . 1 . C H16B .7172(4) .9112(15) .1178(10) .093 Uiso calc R 1 . H C1B .7541(4) .7191(13) .0445(7) .051(3) Uani d . 1 . C C2B .7855(4) .7772(13) .1020(7) .053(3) Uani d . 1 . C H2B .7734(4) .8471(13) .1440(7) .064 Uiso calc R 1 . H B4B .7684(4) .5585(14) .0288(10) .041(4) Uani d . 1 . B H4B .7451(4) .4841(14) .0195(10) .049 Uiso calc R 1 . H B5B .7744(4) .6872(16) -.0410(8) .058(4) Uani d . 1 . B H5B .7570(4) .6864(16) -.0947(8) .069 Uiso calc R 1 . H B6B .7853(5) .8347(18) .0058(10) .068(5) Uani d . 1 . B H6B .7766(5) .9314(18) -.0159(10) .082 Uiso calc R 1 . H B7B .8247(4) .6734(15) .1237(8) .049(3) Uani d . 1 . B H7B .8410(4) .6783(15) .1785(8) .059 Uiso calc R 1 . H B8B .8173(4) .5286(15) .0690(8) .052(4) Uani d . 1 . B H8B .8304(4) .4326(15) .0814(8) .063 Uiso calc R 1 . H B9B .8138(5) .5780(16) -.0268(8) .059(4) Uani d . 1 . B H9B .8223(5) .5085(16) -.0721(8) .071 Uiso calc R 1 . H B10B .8236(6) .7446(15) -.0359(10) .065(5) Uani d . 1 . B H10B .8395(6) .7844(15) -.0861(10) .078 Uiso calc R 1 . H B11B .8299(5) .8068(17) .0603(9) .060(4) Uani d . 1 . B H11B .8494(5) .8889(17) .0764(9) .072 Uiso calc R 1 . H B12B .8487(4) .6535(16) .0321(9) .058(4) Uani d . 1 . B H12C .8811(4) .6379(16) .0260(9) .069 Uiso calc R 1 . H C1S .8645(7) .0205(19) .2491(13) .118(7) Uani d . 1 . C H1SA .8505(7) -.0250(19) .2082(13) .142 Uiso calc R 1 . H H1SB .8792(7) -.0440(19) .2784(13) .142 Uiso calc R 1 . H Cl1S .8301(3) .0892(7) .3072(4) .173(3) Uani d . 1 . Cl Cl2S .8980(3) .1263(8) .2086(7) .224(5) Uani d . 1 . Cl 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 Pt3A .0439(2) .0469(2) .0453(2) .0019(2) -.0016(2) .0029(2) P1A .054(2) .058(2) .045(2) .004(2) .0022(15) .005(2) C31A .079(9) .070(10) .075(11) .018(8) .002(8) .015(8) C32A .091(11) .085(11) .064(9) .024(9) .001(8) .014(8) C33A .074(7) .058(8) .058(8) .005(7) -.008(7) .001(7) C34A .085(9) .078(11) .076(11) -.018(8) -.016(8) .003(8) C35A .058(7) .087(10) .064(7) -.004(7) .005(8) .009(10) C36A .113(14) .101(15) .126(18) -.047(12) .011(13) -.001(13) P2A .066(2) .055(2) .054(2) .014(2) -.004(2) .009(2) C21A .067(10) .132(17) .094(12) .038(11) -.037(10) -.022(12) C22A .066(9) .16(2) .135(19) .000(11) -.008(11) .027(16) C23A .104(11) .053(9) .069(9) .033(8) .001(8) .001(7) C24A .124(14) .099(14) .077(10) .068(12) .010(11) .001(10) C25A .150(16) .051(9) .071(10) .025(10) .008(11) .017(8) C26A .20(2) .066(12) .14(2) -.029(14) -.020(17) .016(12) C11A .057(7) .054(8) .050(7) -.005(6) -.001(6) .000(6) C12A .076(9) .072(10) .083(10) -.007(8) .000(8) -.006(9) C13A .067(9) .091(13) .105(12) -.022(9) .001(9) .015(11) C14A .067(9) .091(13) .086(10) -.018(9) -.003(9) -.016(10) C15A .072(9) .095(13) .092(11) -.015(9) -.022(9) .004(11) C16A .085(11) .090(13) .083(11) -.020(9) -.029(9) .009(10) C1A .042(6) .053(8) .060(7) -.007(6) .000(6) .002(6) C2A .051(7) .054(8) .077(9) .008(6) -.006(7) .003(7) B4A .039(8) .075(14) .065(11) -.003(8) .003(7) -.004(9) B5A .072(10) .087(13) .044(7) .010(9) .001(8) -.002(8) B6A .070(9) .045(9) .071(10) .008(7) -.013(8) .001(8) B7A .028(6) .076(10) .063(8) .021(6) .007(6) .000(8) B8A .065(9) .073(11) .042(7) -.017(8) .008(7) -.007(7) B9A .054(8) .064(10) .067(9) .009(8) .007(8) .009(8) B10A .055(9) .112(17) .049(8) .012(9) .004(7) -.001(9) B11A .062(9) .088(14) .079(11) .019(10) -.006(9) -.015(11) B12A .062(9) .094(14) .062(9) -.011(10) .009(8) -.011(10) Pt3B .0443(2) .0409(2) .0418(2) -.0014(2) -.0002(2) -.0015(3) P1B .060(2) .057(2) .046(2) -.007(2) .0054(15) -.006(2) C31B .081(10) .053(9) .051(7) -.018(7) .009(7) -.018(6) C32B .113(14) .103(15) .077(10) .002(12) -.001(10) -.038(10) C33B .080(8) .081(10) .053(7) -.021(8) -.008(8) .008(8) C34B .102(12) .102(14) .075(11) -.008(10) -.018(9) .018(9) C35B .059(7) .111(13) .071(9) -.006(8) .011(8) -.027(10) C36B .118(15) .113(17) .103(13) .055(13) .021(12) -.017(12) P2B .059(2) .045(2) .0538(14) -.0083(15) -.004(2) .000(2) C21B .101(11) .055(9) .055(7) -.019(8) .001(8) .007(7) C22B .20(2) .066(11) .081(11) -.065(13) .018(13) .003(9) C23B .066(8) .066(10) .092(10) -.014(8) .001(8) -.008(8) C24B .051(7) .111(13) .148(16) .000(8) -.017(11) -.020(16) C25B .104(11) .046(9) .065(9) -.010(8) -.020(9) -.008(7) C26B .103(12) .055(10) .120(14) .013(9) -.034(11) -.024(9) C11B .053(7) .052(8) .056(7) .017(6) -.008(6) .010(6) C12B .062(8) .064(9) .064(8) .015(7) -.014(7) .004(7) C13B .066(9) .086(11) .085(10) .007(9) -.020(8) .011(10) C14B .071(9) .097(14) .105(12) .032(10) -.010(10) .001(11) C15B .079(10) .069(11) .115(14) .032(9) -.016(10) -.014(10) C16B .070(9) .065(10) .097(11) .014(8) -.005(8) -.023(9) C1B .070(8) .045(7) .039(6) -.001(7) -.007(6) .011(6) C2B .061(7) .049(7) .050(6) .008(6) .000(6) -.004(6) B4B .045(7) .046(9) .032(7) -.001(6) .001(6) -.001(6) B5B .067(9) .068(11) .037(7) .003(8) .001(7) -.007(7) B6B .081(11) .055(10) .068(10) -.011(9) -.009(9) .008(9) B7B .040(7) .059(9) .048(7) -.006(6) -.008(6) .001(7) B8B .053(8) .054(9) .049(7) .015(7) -.005(6) -.002(7) B9B .078(10) .057(10) .043(7) .009(8) .002(7) -.006(7) B10B .095(12) .048(10) .053(9) -.019(8) .005(9) .015(7) B11B .063(9) .058(10) .058(9) -.014(8) .001(7) .000(8) B12B .048(7) .067(10) .058(8) -.001(7) .006(7) -.008(8) C1S .17(2) .066(13) .120(15) -.001(13) -.001(15) .008(11) Cl1S .271(9) .137(6) .113(4) .057(6) .003(6) .015(4) Cl2S .279(11) .118(6) .274(13) -.009(7) .018(10) .011(7) 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 Pt3A P2A . 2.267(3) y Pt3A B8A . 2.271(15) y Pt3A B7A . 2.279(12) y Pt3A P1A . 2.292(4) y Pt3A B4A . 2.29(2) y Pt3A C2A . 2.487(14) y P1A C33A . 1.809(14) n P1A C35A . 1.848(13) n P1A C31A . 1.852(14) ? C31A C32A . 1.46(2) ? C33A C34A . 1.50(2) ? C35A C36A . 1.53(2) ? P2A C23A . 1.801(15) ? P2A C21A . 1.84(2) ? P2A C25A . 1.85(2) ? C21A C22A . 1.50(3) ? C23A C24A . 1.57(2) ? C25A C26A . 1.50(2) ? C11A C16A . 1.38(2) ? C11A C12A . 1.39 ? C11A C1A . 1.515(14) y C12A C13A . 1.39(2) ? C13A C14A . 1.34(2) ? C14A C15A . 1.38(2) ? C15A C16A . 1.39(2) ? C1A C2A . 1.57(2) y C1A B6A . 1.69(2) n C1A B4A . 1.69(2) n C1A B5A . 1.70(2) n C2A B11A . 1.70(2) n C2A B6A . 1.76(2) n C2A B7A . 1.77(2) n B4A B8A . 1.80(2) n B4A B9A . 1.81(2) n B4A B5A . 1.82(3) n B5A B10A . 1.76(2) n B5A B6A . 1.76(2) n B5A B9A . 1.76(2) n B6A B10A . 1.78(2) n B6A B11A . 1.78(2) n B7A B11A . 1.75(2) n B7A B12A . 1.78(2) n B7A B8A . 1.81(2) n B8A B12A . 1.75(2) n B8A B9A . 1.77(2) n B9A B10A . 1.75(3) n B9A B12A . 1.77(2) n B10A B12A . 1.78(2) n B10A B11A . 1.83(3) n B11A B12A . 1.79(3) n Pt3B B8B . 2.229(14) y Pt3B P2B . 2.269(3) y Pt3B B7B . 2.280(13) y Pt3B B4B . 2.28(2) y Pt3B P1B . 2.291(4) y Pt3B C2B . 2.569(13) y P1B C33B . 1.815(15) ? P1B C35B . 1.819(13) ? P1B C31B . 1.826(13) ? C31B C32B . 1.53(2) ? C33B C34B . 1.52(2) ? C35B C36B . 1.52(2) ? P2B C23B . 1.805(15) ? P2B C21B . 1.820(14) ? P2B C25B . 1.83(2) ? C21B C22B . 1.52(2) ? C23B C24B . 1.52(2) ? C25B C26B . 1.49(2) ? C11B C16B . 1.38(2) ? C11B C12B . 1.390(10) ? C11B C1B . 1.50(2) y C12B C13B . 1.34(2) ? C13B C14B . 1.37(2) ? C14B C15B . 1.36(2) ? C15B C16B . 1.42(2) ? C1B C2B . 1.57(2) y C1B B5B . 1.67(2) n C1B B6B . 1.72(2) n C1B B4B . 1.74(2) n C2B B11B . 1.68(2) n C2B B7B . 1.73(2) n C2B B6B . 1.78(2) n B4B B8B . 1.80(2) n B4B B5B . 1.81(2) n B4B B9B . 1.81(2) n B5B B10B . 1.74(2) n B5B B9B . 1.74(2) n B5B B6B . 1.76(2) n B6B B10B . 1.73(3) n B6B B11B . 1.79(2) n B7B B11B . 1.77(2) n B7B B8B . 1.78(2) n B7B B12B . 1.80(2) n B8B B9B . 1.75(2) n B8B B12B . 1.77(2) n B9B B12B . 1.73(2) n B9B B10B . 1.75(2) n B10B B12B . 1.73(2) n B10B B11B . 1.80(2) n B11B B12B . 1.76(2) n C1S Cl1S . 1.68(2) n C1S Cl2S . 1.71(2) n _cod_database_code 2007245