#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2001972.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_2001972 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 1993 _journal_volume C49 _journal_page_first 318 _journal_page_last 320 loop_ _publ_author_name 'Herdtweck, E.' 'Kreusel, U.' _chemical_formula_moiety '4(C2 H8 N1), Cl1, Bi1 Cl6' _chemical_formula_sum 'C8 H32 Bi1 Cl7 N4' _chemical_formula_weight 641.5 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P 21 21 2' _cell_length_a 10.3420(10) _cell_length_b 13.5100(10) _cell_length_c 8.6930(10) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1215 _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.754 _exptl_crystal_density_meas ? _exptl_crystal_F_000 620 _exptl_absorpt_coefficient_mu 20.01 _diffrn_radiation_type Cu _diffrn_radiation_wavelength 1.54184 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Bi .5 .0 .06444(7) .0478(2) Cl(1) .7318(3) .0939(3) .0612(5) .0714(12) Cl(2) .4103(4) .1386(3) -.1381(5) .0724(13) Cl(3) .5749(5) -.1210(5) .2893(6) .0979(19) Cl(4) .0 .0 .4991(11) .152(5) N(1) .121(2) .1886(14) .008(3) .118(9) C(11) .063(3) .140(2) -.128(3) .113(10) C(12) .093(2) .1386(18) .150(3) .109(10) N(2) .2368(17) .4056(14) .5381(17) .087(6) C(21) .180(3) .432(2) .394(3) .125(11) C(22) .258(3) .3048(18) .540(3) .117(11) H(11) .088(2) .2542(14) .015(3) ? H(12) .212(2) .1905(14) -.005(3) ? H(111) .084(3) .176(2) -.218(3) ? H(112) -.029(3) .138(2) -.116(3) ? H(113) .095(3) .074(2) -.136(3) ? H(121) .132(2) .1730(18) .233(3) ? H(122) .125(2) .0729(18) .146(3) ? H(123) .002(2) .1367(18) .166(3) ? H(21) .1803(17) .4233(14) .6198(17) ? H(22) .3168(17) .4392(14) .5501(17) ? H(211) .165(3) .502(2) .392(3) ? H(212) .100(3) .399(2) .382(3) ? H(213) .236(3) .415(2) .313(3) ? H(221) .296(3) .2863(18) .635(3) ? H(222) .314(3) .2873(18) .458(3) ? H(233) .178(3) .2713(18) .528(3) ?