#------------------------------------------------------------------------------ #$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $ #$Revision: 481 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000350.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_2000350 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1992 _journal_volume 48 _journal_page_first 2130 _journal_page_last 2132 loop_ _publ_author_name 'Wei, G.' 'Huang, Z.' 'Lei, X.' 'Cao, R.' 'Jiang, F.' 'Hong, M.' 'Liu, H.' _chemical_formula_moiety 'C41 H38 Co1 O1 P3 S1' _chemical_formula_sum 'C41 H38 Co1 O1 P3 S1' _chemical_formula_weight 730.68 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21 1' _symmetry_space_group_name_Hall 'P 2y1' _cell_length_a 11.163(2) _cell_length_b 15.499(3) _cell_length_c 10.427(2) _cell_angle_alpha 90. _cell_angle_beta 94.18(3) _cell_angle_gamma 90. _cell_volume 1799.3(9) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.349 _exptl_crystal_density_meas ? _exptl_crystal_F_000 760 _exptl_absorpt_coefficient_mu 0.693 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Co .17020(10) .2223 .62120(10) S .1367(2) .3568(2) .5322(3) P1 .1613(2) .1722(2) .4255(3) P2 .1374(3) .0934(2) .6795(3) P3 .0372(2) .2597(2) .7527(3) O .4059(7) .2376(6) .7529(9) C1 .1670(10) .0544(7) .4260(10) C01 .3146(8) .2339(8) .6942(9) C2 .1090(10) .0172(7) .5460(10) C3 .0008(9) .0887(7) .7670(10) C4 .0050(10) .1678(8) .8580(10) C11 .2815(8) .1970(6) .3217(9) C12 .3684(9) .2582(7) .3600(10) C13 .4606(9) .2752(9) .2800(10) C14 .4658(9) .2330(10) .1640(10) C15 .3780(10) .1739(8) .1250(10) C16 .2847(9) .1567(8) .2030(10) C21 .0290(9) .1969(7) .3191(9) C22 -.0780(10) .1498(9) .3190(10) C23 -.1820(10) .1780(10) .2440(10) C24 -.1780(10) .2510(10) .1710(10) C25 -.0750(10) .2970(10) .1680(10) C26 .0272(9) .2705(9) .2410(10) C31 .2530(10) .0383(7) .7840(10) C32 .2310(10) .0075(8) .9050(10) C33 .3250(10) -.0330(10) .9810(10) C34 .4360(10) -.0421(9) .9370(10) C35 .4560(10) -.0120(10) .8170(10) C36 .3660(10) .0287(8) .7420(10) C41 -.1151(9) .2897(7) .6970(10) C42 -.2050(10) .3082(9) .7810(10) C43 -.3210(10) .3240(10) .7350(10) C44 -.3500(10) .3250(10) .6020(10) C45 -.2670(10) .3060(10) .5190(10) C46 -.1506(9) .2896(8) .5650(10) C51 .0829(9) .3458(7) .8646(9) C52 .0440(10) .4276(7) .8520(10) C53 .1830(10) .4774(9) 1.0200(10) C54 .0910(10) .4943(8) .9290(10) C55 .1790(10) .3267(7) .9590(10) C56 .2240(10) .3905(9) 1.0360(10) C61 .2582(9) .4302(7) .5540(10) C62 .2780(10) .4834(8) .4530(10) C63 .3650(10) .5477(9) .4670(10) C64 .4320(10) .5567(9) .580(2) C65 .4170(10) .5042(9) .683(2) C66 .3280(10) .4407(7) .6690(10) H1 .2493 .0355 .4275 H2 .1268 .0326 .3472 H3 .0211 .0116 .5264 H4 .1375 -.0386 .5684 H5 -.0057 .0363 .8142 H6 -.0715 .0930 .7087 H7 -.0679 .1763 .8993 H8 .0689 .1607 .9257 H9 .3645 .2904 .4402 H10 .5225 .3163 .3051 H11 .5309 .2447 .1108 H12 .3811 .1456 .0425 H13 .2237 .1140 .1733 H14 -.0800 .0972 .3713 H15 -.2558 .1452 .2447 H16 -.2499 .2685 .1203 H17 -.0708 .3489 .1141 H18 .1015 .3027 .2374 H19 .1504 .0115 .9355 H20 .3111 -.0529 1.0666 H21 .5008 -.0696 .9914 H22 .5351 -.0193 .7827 H23 .3841 .0528 .6596 H24 -.1841 .3115 .8754 H25 -.3836 .3343 .7908 H26 -.4312 .3385 .5686 H27 -.2880 .3041 .4291 H28 -.0917 .2768 .5025 H29 -.0200 .4556 .7953 H30 .2456 .4817 1.0894 H31 .0350 .5338 .8842 H32 .1788 .2660 .9323 H33 .2705 .4255 1.1029 H34 .2291 .4749 .3701 H35 .3747 .5872 .3918 H36 .4949 .6018 .5887 H37 .4673 .5106 .7642 H38 .3144 .4037 .7452