#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000612.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_2000612 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1660 _journal_page_last 1661 loop_ _publ_author_name 'Deshayes, L.' 'Keller, N.' 'Lance, M.' 'Nierlich, M.' 'Vigner, D.' _chemical_formula_moiety 'C15 H35 N5 O7 U1,2(B1 F4)' _chemical_formula_sum 'C15 H35 B2 F8 N5 O7 U1' _chemical_formula_weight 809.11 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 1 2/c 1' _symmetry_space_group_name_Hall '-C 2yc' _cell_length_a 21.077(5) _cell_length_b 13.296(3) _cell_length_c 11.525(2) _cell_angle_alpha 90. _cell_angle_beta 112.24(2) _cell_angle_gamma 90. _cell_volume 2989.0(10) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.798 _exptl_crystal_density_meas ? _exptl_crystal_F_000 1560 _exptl_absorpt_coefficient_mu 5.234 _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 U .000 .05533(3) .250 F1 .3111(3) .1681(7) .3457(7) F2 .3768(4) .0437(5) .3439(7) F3 .4122(3) .1984(7) .3440(9) F4 .3313(4) .1365(8) .1808(6) O1 .0406(2) .0556(5) .1415(4) O2 .000 .2309(7) .250 O3 .0647(3) -.0881(4) .3514(5) O4 -.1051(3) .1092(4) .0922(5) N2 .000 .3973(7) .250 N3 .1022(3) -.2168(5) .4864(5) N4 -.1917(3) .0942(5) -.0962(6) C2 .0285(8) .3110(10) .3080(10) C3 .0540(4) -.1663(6) .4012(7) C4 -.1258(4) .0982(7) -.0248(8) C21 .0428(7) .455(2) .3500(10) C31 .0875(5) -.3113(7) .5378(9) C32 .1738(4) -.1822(8) .5340(10) C41 -.2100(5) .0820(10) -.2329(8) C42 -.2458(4) .1050(10) -.0480(10) B .3587(5) .1400(10) .3050(10)