#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000616.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_2000616 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1665 _journal_page_last 1666 loop_ _publ_author_name 'Noltemeyer, M.' 'Gilje, J.W.' 'Roesky, H.W.' _chemical_formula_moiety 'C16 H32 Cl1 O6 U1,C4 H8 Cl5 O1 U1' _chemical_formula_sum 'C20 H40 Cl6 O7 U2' _chemical_formula_weight 1081.3 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' _cell_length_a 9.272(2) _cell_length_b 13.031(3) _cell_length_c 15.240(3) _cell_angle_alpha 80.04(3) _cell_angle_beta 79.15(3) _cell_angle_gamma 73.46(3) _cell_volume 1719.5(6) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 2.088 _exptl_crystal_density_meas ? _exptl_crystal_F_000 1004 _exptl_absorpt_coefficient_mu 9.422 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71069 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv U(1) .25510(10) .15960(10) .34300(10) .0660(10) Cl(1) -.0081(8) .1137(7) .3568(5) .114(4) O(1) .1158(16) .2211(13) .4817(11) .078(8) C(11) .022(4) .327(3) .4849(19) .14(2) C(12) -.078(4) .331(3) .568(2) .13(2) C(13) -.045(5) .228(4) .620(2) .20(3) C(14) .061(4) .158(3) .5606(19) .14(2) O(2) .4073(16) .2396(13) .4123(10) .078(8) C(21) .441(3) .340(3) .383(2) .131(19) C(22) .533(5) .354(4) .444(3) .18(3) C(23) .573(5) .256(4) .502(3) .18(3) C(24) .465(4) .197(3) .4956(19) .14(2) O(3) .5029(18) .1468(13) .2511(11) .079(8) C(31) .647(3) .076(3) .275(2) .130(18) C(32) .757(4) .082(3) .192(3) .17(3) C(33) .668(6) .148(4) .126(3) .21(4) C(34) .528(3) .205(3) .167(2) .122(19) O(4) .2690(17) .0776(17) .2083(11) .083(8) C(41) .318(3) -.032(3) .205(2) .118(18) C(42) .279(5) -.056(3) .125(3) .17(3) C(43) .206(4) .044(3) .0778(19) .12(2) C(44) .178(4) .125(2) .1378(19) .118(17) O(5) .3334(17) .0367(12) .4014(10) .085(8) O(6) .1927(16) .2838(12) .2842(9) .079(7) U(2) .70980(10) .61620(10) .19820(10) .0800(10) Cl(2) .6423(10) .6906(8) .0392(5) .151(5) Cl(3) .7429(12) .4213(7) .1693(7) .156(6) Cl(4) .8034(10) .5464(8) .3523(5) .137(5) Cl(5) .7259(11) .8052(7) .2175(8) .164(6) Cl(6) .4308(8) .6468(8) .2693(5) .137(5) O(7) .9696(19) .5936(16) .1312(12) .104(9) C(71) 1.039(4) .665(3) .074(3) .17(2) C(72) 1.202(4) .633(4) .084(3) .16(3) C(73) 1.222(4) .525(3) .132(4) .18(3) C(74) 1.083(4) .500(3) .144(3) .17(2)