data_2200198 _journal_name_full 'Acta Crystallographica, Section E' _journal_year 2001 _journal_volume 57 _journal_page_first i8 _journal_page_last i9 _publ_section_title ; Sodium tetrabromoaurate(III) dihydrate ; loop_ _publ_author_name 'Welter, Richard' 'Omrani, Hedi' 'Vangelisti, Rene' _chemical_name_common 'Sodium bromoaurate dihydrate' _chemical_formula_moiety 'Na 1+, AuBr4 1-, (H2 O)2' _chemical_formula_sum 'H4 Au Br4 Na O2' _chemical_formula_iupac 'Na1 Au1 Br4, 2H2 O1' _chemical_formula_weight 575.63 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P n m a' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z+1/2' '-x, y+1/2, -z' '-x, -y, -z' 'x-1/2, y, -z-1/2' '-x-1/2, y-1/2, z-1/2' 'x, -y-1/2, z' _cell_length_a 13.320(6) _cell_length_b 7.253(2) _cell_length_c 9.420(3) _cell_angle_alpha 90.0000 _cell_angle_beta 90.0000 _cell_angle_gamma 90.0000 _cell_volume 910.1(6) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 4.201 _diffrn_ambient_temperature 293(2) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Au .43636(5) .2500 .01537(7) .0258(2) Uani d S 1 . . Au Br1 .32724(15) .2500 -.1914(2) .0422(5) Uani d S 1 . . Br Br2 .28961(13) .2500 .16910(19) .0364(5) Uani d S 1 . . Br Br3 .58537(14) .2500 -.1329(2) .0411(5) Uani d S 1 . . Br Br4 .54477(15) .2500 .2209(2) .0462(6) Uani d S 1 . . Br Na .4885(6) .2500 .5620(10) .051(2) Uani d S 1 . . Na O .3845(7) .0025(16) .4674(10) .050(3) Uani d D 1 . . O H1 .321 .00 .513 .08 Uiso d D 1 . . H H2 .373 -.02 .370 .08 Uiso d D 1 . . H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Au .0209(3) .0288(3) .0276(3) .000 .0002(3) .000 Br1 .0319(10) .0647(15) .0298(9) .000 -.0044(8) .000 Br2 .0236(8) .0534(13) .0321(9) .000 .0017(7) .000 Br3 .0299(10) .0523(12) .0410(11) .000 .0107(8) .000 Br4 .0309(11) .0710(15) .0367(11) .000 -.0099(8) .000 Na .046(5) .053(5) .054(5) .000 -.001(4) .000 O .043(5) .072(8) .033(5) -.013(6) -.003(4) -.001(6) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Au Br4 . 2.415(2) Y Au Br3 . 2.427(2) Y Au Br1 . 2.431(2) Y Au Br2 . 2.433(2) Y Br1 Na 1_554 3.163(9) Y Br3 Na 1_554 3.150(10) Y Br4 Na . 3.300(10) Y Na O . 2.437(12) Y Na O 8_565 2.437(12) Y Na O 4_656 2.509(13) Y Na O 5_656 2.509(13) Y Na Br3 1_556 3.150(10) N Na Br1 1_556 3.163(9) N Na Na 5_656 3.823(6) N Na Na 5_666 3.823(6) N O Na 5_656 2.509(13) N O H1 . .95 N O H2 . .95 N