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X-ray Structure and Thermal Motion of Barium N-Dithioearboxylatoglyeinate Trihydrate

 

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Opened Access X-ray Structure and Thermal Motion of Barium N-Dithioearboxylatoglyeinate Trihydrate
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Author: Conde Amiano, Clara Francisca
Millán, M.
Conde Amiano, Alejandro
Márquez Delgado, Rafael
Department: Universidad de Sevilla. Departamento de Física de la Materia Condensada
Date: 1986
Published in: Acta crystallographica. Section C, Crystal structure communications., 42 (3), 286-289.
Document type: Article
Abstract: Ba2+.C3H3NO2S2-.3H2 O, Mr=340.6 , triclinic, P1, a = 7.906 (1), b = 7.905 (1), c = 8.000 (1) A, ct= 96.34 (1), fl= 100.08 (1), 7= 93.54 (1)% V= 487.6 (1)A 3, Z- 2, Din= 2.31 (1), D x = 2.320 Mg m -3, 2(Mo Kct) = 0.7107/k, # = 4.47mm -1, F(000)=324, room temperature, final R = 0.044 (wR = 0.050) for 3235 observed reflexions. The anionic group is not planar and the S--C [1.717 (6) A] and C(sp2)-N [1.322 (8) A] bonds show a high double-bond character. The structure consists of infinite layers of organic anions along [100] with barium ions connected on both sides of these layers, where an extended two-dimensional hydrogen-bonding system, involving the water molecules, holds together the adjacent anions. Thermal-motion analysis reveals a good fit to a simple rigid-body model for the anion and no significant internal modes should exist.
Cite: Conde Amiano, C.F., Millán, M., Conde Amiano, A. y Márquez, R. (1986). X-ray Structure and Thermal Motion of Barium N-Dithioearboxylatoglyeinate Trihydrate. Acta crystallographica. Section C, Crystal structure communications., 42 (3), 286-289.
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URI: http://hdl.handle.net/11441/67537

DOI: 10.1107/S0108270186096464

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