#------------------------------------------------------------------------------ #$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $ #$Revision: 481 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000506.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_2000506 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1992 _journal_volume 48 _journal_page_first 1751 _journal_page_last 1754 loop_ _publ_author_name 'Porter, L.C.' 'Fackler, J.P. Jr' _chemical_formula_moiety 'C2 H8 Au1 N4 S2,Br1' _chemical_formula_sum 'C2 H8 Au1 Br1 N4 S2' _chemical_formula_weight 429.2 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 2/c' _symmetry_space_group_name_Hall ? _cell_length_a 8.703(2) _cell_length_b 16.025(8) _cell_length_c 6.799(2) _cell_angle_alpha 90. _cell_angle_beta 100.83(2) _cell_angle_gamma 90. _cell_volume 931.3(6) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 3.06 _exptl_crystal_density_meas ? _exptl_crystal_F_000 776 _exptl_absorpt_coefficient_mu 20.394 _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 _atom_site_U_iso_or_equiv Au(1) .0 .0 .0 .0340(10) Br(1) .0 .37160(10) .2500 .0460(10) S(1) .0886(5) .1346(2) .0 .0430(10) N(1) .3143(12) .0716(7) .2901(18) .037(4) N(2) .2849(16) .2148(9) .2887(19) .053(5) C(1) .2384(17) .1350(7) .2159(19) .029(5) H(1A) .2941 .0216 .2308 ? H(1B) .3893 .0765 .4003 ? H(2A) .2384 .2607 .2287 ? H(2B) .3609 .2197 .3979 ?