#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/4/4060510.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_4060510 _journal_name_full 'Organometallics' _journal_year 2005 _publ_section_title ; Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride with Alkynes: Hydrogenation, Vinylidene Formation, and Catalytic C-C Coupling ; loop_ _publ_author_name 'Jimenez,M.V.' 'Lahoz, F.J.' 'Oro,L.A.' 'Sola.E' _chemical_formula_sum 'C14 H17 Co O S4' _chemical_formula_weight 388.45 _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 9.1494(3) _cell_length_b 12.4455(5) _cell_length_c 22.3392(8) _cell_angle_alpha 79.0220(10) _cell_angle_beta 83.8000(10) _cell_angle_gamma 79.2260(10) _cell_volume 2446.25(15) _cell_formula_units_Z 6 _cell_measurement_temperature 200(2) _exptl_crystal_density_diffrn 1.582 _diffrn_ambient_temperature 200(2) loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Co1_1 Co 0.63311(7) 0.21893(5) 0.01799(3) 0.02327(18) Uani 1 1 d . . . S1_1 S 0.83125(15) 0.01510(11) 0.12126(6) 0.0326(3) Uani 1 1 d . . . S2_1 S 0.86729(14) 0.28559(11) 0.10521(6) 0.0346(4) Uani 1 1 d . . . S3_1 S 0.83290(15) 0.41050(10) -0.04950(7) 0.0405(4) Uani 1 1 d . . . S4_1 S 0.78905(15) 0.21282(11) -0.12944(6) 0.0376(4) Uani 1 1 d . . . C1_1 C 0.4336(5) 0.1632(4) 0.0214(2) 0.0296(13) Uani 1 1 d . . . H1_1 H 0.4218 0.0921 0.0150 0.035 Uiso 1 1 calc R . . C2_1 C 0.4513(5) 0.1917(5) 0.0774(2) 0.0365(14) Uani 1 1 d . . . H2_1 H 0.4553 0.1430 0.1157 0.044 Uiso 1 1 calc R . . C3_1 C 0.4622(5) 0.3063(5) 0.0670(3) 0.0443(16) Uani 1 1 d . . . H3_1 H 0.4737 0.3477 0.0973 0.053 Uiso 1 1 calc R . . C4_1 C 0.4531(5) 0.3472(4) 0.0048(3) 0.0401(15) Uani 1 1 d . . . H4_1 H 0.4573 0.4214 -0.0149 0.048 Uiso 1 1 calc R . . C5_1 C 0.4364(5) 0.2587(4) -0.0238(2) 0.0316(13) Uani 1 1 d . . . H5_1 H 0.4285 0.2629 -0.0663 0.038 Uiso 1 1 calc R . . C6_1 C 0.8240(5) 0.0770(4) -0.0094(2) 0.0221(12) Uani 1 1 d . . . O6_1 O 0.8316(3) -0.0161(3) -0.02306(14) 0.0304(9) Uani 1 1 d . . . C7_1 C 0.8160(5) 0.1067(4) 0.0517(2) 0.0217(12) Uani 1 1 d . . . C8_1 C 0.8297(5) 0.2216(4) 0.0459(2) 0.0224(12) Uani 1 1 d . . . C9_1 C 0.8213(5) 0.2713(4) -0.0174(2) 0.0242(12) Uani 1 1 d . . . C10_1 C 0.7989(5) 0.1865(4) -0.0497(2) 0.0228(12) Uani 1 1 d . . . C11_1 C 0.7381(6) -0.0933(4) 0.1092(2) 0.0564(18) Uani 1 1 d . . . H11A_1 H 0.6398 -0.0605 0.0943 0.085 Uiso 1 1 calc R . . H11B_1 H 0.7259 -0.1446 0.1478 0.085 Uiso 1 1 calc R . . H11C_1 H 0.7978 -0.1339 0.0788 0.085 Uiso 1 1 calc R . . C12_1 C 1.0666(5) 0.2412(5) 0.1034(2) 0.0573(18) Uani 1 1 d . . . H12A_1 H 1.0912 0.1641 0.0967 0.086 Uiso 1 1 calc R . . H12B_1 H 1.1022 0.2464 0.1424 0.086 Uiso 1 1 calc R . . H12C_1 H 1.1148 0.2890 0.0701 0.086 Uiso 1 1 calc R . . C13_1 C 1.0312(6) 0.3985(4) -0.0683(3) 0.065(2) Uani 1 1 d . . . H13A_1 H 1.0835 0.3745 -0.0308 0.098 Uiso 1 1 calc R . . H13B_1 H 1.0546 0.4707 -0.0891 0.098 Uiso 1 1 calc R . . H13C_1 H 1.0632 0.3437 -0.0954 0.098 Uiso 1 1 calc R . . C14_1 C 0.6981(6) 0.1028(4) -0.1409(2) 0.0547(17) Uani 1 1 d . . . H14A_1 H 0.7676 0.0322 -0.1346 0.082 Uiso 1 1 calc R . . H14B_1 H 0.6665 0.1182 -0.1827 0.082 Uiso 1 1 calc R . . H14C_1 H 0.6106 0.0982 -0.1116 0.082 Uiso 1 1 calc R . . Co1_2 Co 0.47283(7) 0.60655(5) 0.33671(3) 0.02015(17) Uani 1 1 d . . . S1_2 S 0.62642(14) 0.37669(11) 0.43526(6) 0.0332(4) Uani 1 1 d . . . S2_2 S 0.69585(15) 0.63938(11) 0.43626(6) 0.0377(4) Uani 1 1 d . . . S3_2 S 0.70268(15) 0.78433(10) 0.28497(6) 0.0350(4) Uani 1 1 d . . . S4_2 S 0.64182(15) 0.61200(11) 0.19113(6) 0.0353(4) Uani 1 1 d . . . C1_2 C 0.2624(5) 0.5716(4) 0.3334(3) 0.0386(15) Uani 1 1 d . . . H1_2 H 0.2387 0.5057 0.3242 0.046 Uiso 1 1 calc R . . C2_2 C 0.2823(5) 0.5910(4) 0.3919(3) 0.0365(15) Uani 1 1 d . . . H2_2 H 0.2763 0.5393 0.4289 0.044 Uiso 1 1 calc R . . C3_2 C 0.3126(5) 0.6993(4) 0.3867(2) 0.0309(13) Uani 1 1 d . . . H3_2 H 0.3290 0.7337 0.4193 0.037 Uiso 1 1 calc R . . C4_2 C 0.3141(5) 0.7474(4) 0.3243(2) 0.0282(13) Uani 1 1 d . . . H4_2 H 0.3319 0.8202 0.3075 0.034 Uiso 1 1 calc R . . C5_2 C 0.2845(5) 0.6688(4) 0.2908(2) 0.0352(14) Uani 1 1 d . . . H5_2 H 0.2802 0.6792 0.2477 0.042 Uiso 1 1 calc R . . C6_2 C 0.6492(5) 0.4602(4) 0.3062(2) 0.0219(12) Uani 1 1 d . . . O6_2 O 0.6492(3) 0.3726(2) 0.28750(14) 0.0284(8) Uani 1 1 d . . . C7_2 C 0.6366(5) 0.4786(4) 0.3697(2) 0.0237(12) Uani 1 1 d . . . C8_2 C 0.6667(5) 0.5883(4) 0.3708(2) 0.0249(12) Uani 1 1 d . . . C9_2 C 0.6708(5) 0.6465(3) 0.3088(2) 0.0205(12) Uani 1 1 d . . . C10_2 C 0.6429(5) 0.5740(4) 0.2698(2) 0.0195(11) Uani 1 1 d . . . C11_2 C 0.4919(5) 0.3012(4) 0.4166(2) 0.0388(14) Uani 1 1 d . . . H11A_2 H 0.3967 0.3514 0.4100 0.058 Uiso 1 1 calc R . . H11B_2 H 0.4775 0.2402 0.4504 0.058 Uiso 1 1 calc R . . H11C_2 H 0.5286 0.2709 0.3793 0.058 Uiso 1 1 calc R . . C12_2 C 0.8910(6) 0.5948(5) 0.4408(3) 0.083(2) Uani 1 1 d . . . H12A_2 H 0.9166 0.5160 0.4374 0.125 Uiso 1 1 calc R . . H12B_2 H 0.9195 0.6052 0.4801 0.125 Uiso 1 1 calc R . . H12C_2 H 0.9447 0.6386 0.4074 0.125 Uiso 1 1 calc R . . C13_2 C 0.8984(5) 0.7586(4) 0.2597(2) 0.0529(17) Uani 1 1 d . . . H13A_2 H 0.9563 0.7222 0.2946 0.079 Uiso 1 1 calc R . . H13B_2 H 0.9311 0.8293 0.2419 0.079 Uiso 1 1 calc R . . H13C_2 H 0.9139 0.7104 0.2288 0.079 Uiso 1 1 calc R . . C14_2 C 0.5332(6) 0.5175(4) 0.1711(2) 0.0467(16) Uani 1 1 d . . . H14A_2 H 0.5967 0.4451 0.1697 0.070 Uiso 1 1 calc R . . H14B_2 H 0.4949 0.5479 0.1309 0.070 Uiso 1 1 calc R . . H14C_2 H 0.4494 0.5085 0.2018 0.070 Uiso 1 1 calc R . . Co1_3 Co 0.09322(7) 1.12361(5) 0.33486(3) 0.02138(18) Uani 1 1 d . . . S1_3 S 0.19981(14) 1.35277(11) 0.23651(6) 0.0331(4) Uani 1 1 d . . . S2_3 S 0.40674(14) 1.08961(11) 0.24767(6) 0.0338(4) Uani 1 1 d . . . S3_3 S 0.37937(14) 0.95866(10) 0.40186(7) 0.0354(4) Uani 1 1 d . . . S4_3 S 0.15105(15) 1.13759(11) 0.48382(6) 0.0355(4) Uani 1 1 d . . . C1_3 C -0.1347(5) 1.1482(4) 0.3367(3) 0.0330(14) Uani 1 1 d . . . H1_3 H -0.2009 1.2092 0.3497 0.040 Uiso 1 1 calc R . . C2_3 C -0.0728(6) 1.1424(5) 0.2769(3) 0.0454(16) Uani 1 1 d . . . H2_3 H -0.0887 1.1996 0.2423 0.054 Uiso 1 1 calc R . . C3_3 C 0.0172(6) 1.0375(5) 0.2770(3) 0.0498(17) Uani 1 1 d . . . H3_3 H 0.0717 1.0114 0.2424 0.060 Uiso 1 1 calc R . . C4_3 C 0.0125(6) 0.9779(4) 0.3371(3) 0.0418(16) Uani 1 1 d . . . H4_3 H 0.0629 0.9046 0.3505 0.050 Uiso 1 1 calc R . . C5_3 C -0.0806(5) 1.0467(4) 0.3737(2) 0.0329(14) Uani 1 1 d . . . H5_3 H -0.1033 1.0278 0.4165 0.039 Uiso 1 1 calc R . . C6_3 C 0.1563(5) 1.2777(4) 0.3656(2) 0.0232(12) Uani 1 1 d . . . O6_3 O 0.0915(3) 1.3654(3) 0.38150(14) 0.0323(9) Uani 1 1 d . . . C7_3 C 0.2086(5) 1.2553(4) 0.3035(2) 0.0201(11) Uani 1 1 d . . . C8_3 C 0.3008(5) 1.1465(4) 0.3077(2) 0.0199(11) Uani 1 1 d . . . C9_3 C 0.2888(5) 1.0923(4) 0.3710(2) 0.0226(12) Uani 1 1 d . . . C10_3 C 0.1897(5) 1.1666(4) 0.4046(2) 0.0191(11) Uani 1 1 d . . . C11_3 C 0.0176(5) 1.4343(4) 0.2448(2) 0.0482(16) Uani 1 1 d . . . H11A_3 H -0.0578 1.3861 0.2500 0.072 Uiso 1 1 calc R . . H11B_3 H 0.0007 1.4913 0.2083 0.072 Uiso 1 1 calc R . . H11C_3 H 0.0103 1.4700 0.2808 0.072 Uiso 1 1 calc R . . C12_3 C 0.5644(5) 1.1596(5) 0.2386(3) 0.070(2) Uani 1 1 d . . . H12A_3 H 0.5304 1.2400 0.2292 0.105 Uiso 1 1 calc R . . H12B_3 H 0.6336 1.1358 0.2052 0.105 Uiso 1 1 calc R . . H12C_3 H 0.6151 1.1413 0.2767 0.105 Uiso 1 1 calc R . . C13_3 C 0.5648(6) 0.9829(4) 0.4057(3) 0.067(2) Uani 1 1 d . . . H13A_3 H 0.6000 1.0219 0.3660 0.101 Uiso 1 1 calc R . . H13B_3 H 0.6313 0.9117 0.4163 0.101 Uiso 1 1 calc R . . H13C_3 H 0.5646 1.0283 0.4371 0.101 Uiso 1 1 calc R . . C14_3 C -0.0428(5) 1.2049(4) 0.4937(2) 0.0452(15) Uani 1 1 d . . . H14A_3 H -0.0573 1.2777 0.4670 0.068 Uiso 1 1 calc R . . H14B_3 H -0.0668 1.2144 0.5364 0.068 Uiso 1 1 calc R . . H14C_3 H -0.1083 1.1587 0.4830 0.068 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Co1_1 0.0187(4) 0.0267(4) 0.0249(4) -0.0049(3) -0.0015(3) -0.0048(3) S1_1 0.0353(8) 0.0353(8) 0.0262(8) 0.0019(6) -0.0055(7) -0.0089(7) S2_1 0.0304(8) 0.0405(9) 0.0381(9) -0.0175(7) -0.0024(7) -0.0083(7) S3_1 0.0396(9) 0.0250(8) 0.0543(11) 0.0010(7) 0.0006(8) -0.0093(7) S4_1 0.0433(9) 0.0448(9) 0.0225(8) 0.0007(7) -0.0007(7) -0.0092(7) C1_1 0.022(3) 0.040(3) 0.029(3) -0.006(3) -0.002(3) -0.013(3) C2_1 0.016(3) 0.067(4) 0.024(3) -0.001(3) 0.004(2) -0.010(3) C3_1 0.026(3) 0.065(4) 0.048(4) -0.033(4) -0.002(3) 0.001(3) C4_1 0.030(3) 0.031(3) 0.058(4) -0.008(3) -0.009(3) 0.000(3) C5_1 0.022(3) 0.041(3) 0.032(3) -0.011(3) -0.006(3) 0.001(3) C6_1 0.013(3) 0.023(3) 0.028(3) -0.002(3) 0.000(2) -0.001(2) O6_1 0.035(2) 0.028(2) 0.030(2) -0.0089(17) -0.0013(17) -0.0062(17) C7_1 0.019(3) 0.025(3) 0.019(3) -0.001(2) -0.001(2) -0.001(2) C8_1 0.016(3) 0.026(3) 0.027(3) -0.012(3) -0.002(2) -0.003(2) C9_1 0.021(3) 0.020(3) 0.030(3) 0.000(3) 0.000(3) -0.006(2) C10_1 0.017(3) 0.033(3) 0.018(3) -0.006(2) 0.000(2) -0.002(2) C11_1 0.087(5) 0.049(4) 0.036(4) 0.016(3) -0.010(4) -0.039(4) C12_1 0.028(3) 0.097(5) 0.056(4) -0.031(4) -0.015(3) -0.009(3) C13_1 0.047(4) 0.050(4) 0.092(5) 0.007(4) 0.014(4) -0.025(3) C14_1 0.087(5) 0.052(4) 0.032(4) -0.014(3) -0.024(3) -0.012(4) Co1_2 0.0154(4) 0.0195(4) 0.0257(4) -0.0051(3) -0.0011(3) -0.0025(3) S1_2 0.0331(8) 0.0356(8) 0.0285(8) 0.0047(7) -0.0075(7) -0.0074(7) S2_2 0.0312(9) 0.0531(10) 0.0365(9) -0.0235(8) -0.0043(7) -0.0094(7) S3_2 0.0329(8) 0.0267(8) 0.0465(10) -0.0064(7) 0.0041(7) -0.0117(7) S4_2 0.0455(9) 0.0387(9) 0.0227(8) -0.0021(7) 0.0012(7) -0.0154(7) C1_2 0.018(3) 0.043(4) 0.062(5) -0.024(3) -0.008(3) -0.005(3) C2_2 0.018(3) 0.028(3) 0.053(4) 0.006(3) 0.009(3) 0.003(2) C3_2 0.031(3) 0.024(3) 0.038(4) -0.012(3) 0.001(3) -0.002(3) C4_2 0.019(3) 0.022(3) 0.038(4) -0.002(3) 0.004(3) 0.004(2) C5_2 0.020(3) 0.042(4) 0.042(4) -0.006(3) -0.011(3) 0.002(3) C6_2 0.011(3) 0.030(3) 0.026(3) -0.009(3) -0.003(2) 0.000(2) O6_2 0.035(2) 0.0220(19) 0.028(2) -0.0072(16) -0.0029(17) -0.0014(16) C7_2 0.016(3) 0.029(3) 0.026(3) -0.005(2) 0.000(2) -0.006(2) C8_2 0.011(3) 0.034(3) 0.030(3) -0.009(3) 0.002(2) -0.004(2) C9_2 0.015(3) 0.019(3) 0.027(3) -0.002(2) 0.005(2) -0.005(2) C10_2 0.019(3) 0.019(3) 0.021(3) -0.003(2) 0.002(2) -0.007(2) C11_2 0.043(4) 0.034(3) 0.041(4) -0.005(3) 0.005(3) -0.016(3) C12_2 0.045(4) 0.114(6) 0.106(6) -0.070(5) -0.047(4) 0.021(4) C13_2 0.036(4) 0.051(4) 0.071(5) 0.003(3) 0.004(3) -0.025(3) C14_2 0.066(4) 0.047(4) 0.036(4) -0.010(3) -0.019(3) -0.020(3) Co1_3 0.0148(4) 0.0241(4) 0.0261(4) -0.0028(3) -0.0031(3) -0.0062(3) S1_3 0.0350(9) 0.0350(8) 0.0281(8) 0.0039(7) -0.0042(7) -0.0117(7) S2_3 0.0288(8) 0.0429(9) 0.0341(9) -0.0194(7) 0.0069(7) -0.0098(7) S3_3 0.0265(8) 0.0250(8) 0.0522(10) 0.0007(7) -0.0087(7) -0.0024(6) S4_3 0.0303(8) 0.0483(9) 0.0234(8) 0.0002(7) -0.0015(7) -0.0018(7) C1_3 0.012(3) 0.024(3) 0.066(4) -0.009(3) -0.006(3) -0.005(2) C2_3 0.040(4) 0.061(4) 0.040(4) 0.016(3) -0.025(3) -0.033(3) C3_3 0.040(4) 0.078(5) 0.048(4) -0.036(4) 0.007(3) -0.033(4) C4_3 0.027(3) 0.024(3) 0.078(5) -0.017(3) -0.010(3) -0.003(3) C5_3 0.028(3) 0.042(4) 0.031(3) 0.006(3) -0.005(3) -0.022(3) C6_3 0.014(3) 0.024(3) 0.035(3) -0.003(3) -0.009(2) -0.008(2) O6_3 0.035(2) 0.023(2) 0.039(2) -0.0098(18) 0.0048(18) -0.0042(17) C7_3 0.014(3) 0.025(3) 0.024(3) -0.003(2) -0.002(2) -0.010(2) C8_3 0.015(3) 0.022(3) 0.026(3) -0.008(2) -0.001(2) -0.006(2) C9_3 0.012(3) 0.022(3) 0.034(3) -0.006(2) -0.003(2) -0.003(2) C10_3 0.011(3) 0.032(3) 0.016(3) -0.004(2) 0.000(2) -0.009(2) C11_3 0.047(4) 0.041(4) 0.051(4) 0.004(3) -0.022(3) 0.005(3) C12_3 0.028(4) 0.132(6) 0.072(5) -0.056(5) 0.022(3) -0.044(4) C13_3 0.038(4) 0.043(4) 0.124(6) -0.013(4) -0.047(4) 0.005(3) C14_3 0.038(4) 0.059(4) 0.038(4) -0.019(3) 0.013(3) -0.005(3) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Co1_1 C8_1 1.973(4) . ? Co1_1 C9_1 1.986(4) . ? Co1_1 C2_1 2.050(5) . ? Co1_1 C5_1 2.052(5) . ? Co1_1 C1_1 2.059(4) . ? Co1_1 C10_1 2.064(4) . ? Co1_1 C3_1 2.067(5) . ? Co1_1 C4_1 2.072(5) . ? Co1_1 C7_1 2.077(4) . ? Co1_1 C6_1 2.361(5) . ? S1_1 C7_1 1.746(5) . ? S1_1 C11_1 1.799(5) . ? S2_1 C8_1 1.764(4) . ? S2_1 C12_1 1.802(5) . ? S3_1 C9_1 1.762(4) . ? S3_1 C13_1 1.802(5) . ? S4_1 C10_1 1.757(5) . ? S4_1 C14_1 1.799(5) . ? C1_1 C2_1 1.396(6) . ? C1_1 C5_1 1.408(6) . ? C2_1 C3_1 1.421(7) . ? C3_1 C4_1 1.392(7) . ? C4_1 C5_1 1.414(6) . ? C6_1 O6_1 1.241(5) . ? C6_1 C7_1 1.472(6) . ? C6_1 C10_1 1.477(6) . ? C7_1 C8_1 1.439(6) . ? C8_1 C9_1 1.434(6) . ? C9_1 C10_1 1.443(6) . ? Co1_2 C8_2 1.962(4) . ? Co1_2 C9_2 1.973(4) . ? Co1_2 C2_2 2.041(5) . ? Co1_2 C5_2 2.051(5) . ? Co1_2 C4_2 2.051(4) . ? Co1_2 C7_2 2.055(5) . ? Co1_2 C3_2 2.058(5) . ? Co1_2 C1_2 2.063(5) . ? Co1_2 C10_2 2.076(4) . ? Co1_2 C6_2 2.350(5) . ? S1_2 C7_2 1.753(5) . ? S1_2 C11_2 1.806(4) . ? S2_2 C8_2 1.765(5) . ? S2_2 C12_2 1.776(5) . ? S3_2 C9_2 1.765(4) . ? S3_2 C13_2 1.807(5) . ? S4_2 C10_2 1.732(5) . ? S4_2 C14_2 1.818(5) . ? C1_2 C2_2 1.409(7) . ? C1_2 C5_2 1.423(6) . ? C2_2 C3_2 1.407(6) . ? C3_2 C4_2 1.407(6) . ? C4_2 C5_2 1.419(6) . ? C6_2 O6_2 1.239(5) . ? C6_2 C7_2 1.468(6) . ? C6_2 C10_2 1.487(6) . ? C7_2 C8_2 1.448(6) . ? C8_2 C9_2 1.435(6) . ? C9_2 C10_2 1.440(6) . ? Co1_3 C9_3 1.984(4) . ? Co1_3 C8_3 1.985(4) . ? Co1_3 C5_3 2.038(4) . ? Co1_3 C1_3 2.048(4) . ? Co1_3 C2_3 2.053(5) . ? Co1_3 C10_3 2.070(4) . ? Co1_3 C4_3 2.073(5) . ? Co1_3 C3_3 2.074(5) . ? Co1_3 C7_3 2.083(4) . ? Co1_3 C6_3 2.341(4) . ? S1_3 C7_3 1.737(4) . ? S1_3 C11_3 1.794(5) . ? S2_3 C8_3 1.750(4) . ? S2_3 C12_3 1.794(5) . ? S3_3 C9_3 1.761(4) . ? S3_3 C13_3 1.792(5) . ? S4_3 C10_3 1.747(4) . ? S4_3 C14_3 1.824(5) . ? C1_3 C2_3 1.403(7) . ? C1_3 C5_3 1.407(6) . ? C2_3 C3_3 1.408(7) . ? C3_3 C4_3 1.405(7) . ? C4_3 C5_3 1.404(6) . ? C6_3 O6_3 1.237(5) . ? C6_3 C7_3 1.477(6) . ? C6_3 C10_3 1.486(6) . ? C7_3 C8_3 1.447(6) . ? C8_3 C9_3 1.448(6) . ? C9_3 C10_3 1.430(6) . ?