Disordering of the [NbOF5]2- complex anions in bis(glycinium) pentafluoridooxidoniobate(V) and bis(beta-alaninium) pentafluoridooxidoniobate(V) dihydrate.
Disordering of the [NbOF5]2- complex anions in bis(glycinium) pentafluoridooxidoniobate(V) and bis(beta-alaninium) pentafluoridooxidoniobate(V) dihydrate.
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双(甘氨酸)五氟氧化铌酸(V)和双(β-丙氨酸)五氟氧化铌酸(V)二水合物中[NbOF5]2-复合阴离子的紊乱。
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发表时间：
2008
期刊：
影响因子：
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通讯作者：
R. Davidovich
中科院分区：
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作者：
A. Gerasimenko;M. A. Pushilin;R. Davidovich
标题化合物,(C H (2) (6) (2)) (2) (NbOF(5)),(我),(C (3) H(8)没有(2))(2)(NbOF(5)]。2H(2)O, （II）是由孤立的畸变八面体[NbOF(5)]（2-）络合物阴离子，氨基酸阳离子和水分子[对于（II）]构成的。在五氟氧化二酸盐(V)阴离子中，Nb和O原子以及相对于O原子的移位位置上的F原子在两种结构的反转中心周围是无序的。(I)和（II）的Nb原子分别从反转中心移动了0.1455(1)和0.1263 (2)A的距离。(I)的Nb=O和Nb- f（反式）键长分别为1.7952(3)和2.0862 (3)A, （II）的Nb=O和Nb- f（反式）键长分别为1.8037(7)和2.0556 (7)A。在晶体结构中，阳离子和水分子[for (II)]通过氢键与[NbOF(5)]（2-）阴离子相连。本研究证明了中心对称结构中无序[NbOF(5)]（2-）配合阴离子的真正几何测定的可能性。
The title compounds, (C(2)H(6)NO(2))(2)[NbOF(5)], (I), and (C(3)H(8)NO(2))(2)[NbOF(5)].2H(2)O, (II), are built from isolated distorted octahedral [NbOF(5)](2-) complex anions, amino acid cations and water molecules [for (II)]. In the pentafluoridooxidoniobate(V) anions, the Nb and O atoms, and the F atoms in trans positions with respect to the O atoms, are disordered about an inversion centre for both structures. The Nb atoms are shifted from the inversion centres by distances of 0.1455 (1) and 0.1263 (2) A for (I) and (II), respectively. The Nb=O and Nb-F(trans) bond lengths are 1.7952 (3) and 2.0862 (3) A, respectively, for (I), and 1.8037 (7) and 2.0556 (7) A for (II). In the crystal structures, cations and water molecules [for (II)] are linked to the [NbOF(5)](2-) anions via hydrogen bonds. This study demonstrates the possibility of true geometry determination of disordered [NbOF(5)](2-) complex anions in centrosymmetric structures.