Low-temperature modification of Ba(BF(4))(2)(H(2)O)(3)

The crystal structure of the low-temperature modification of Ba(BF(4))(2)(H(2)O)(3), barium bis(tetra­fluorido­borate) trihydrate, was determined at 150 K. In contrast to the room-temperature modification, which crystallizes in the space group C222(1) [a = 7.1763 (6), b = 18.052 (2), c = 7.1631 (6) ...

Descripción completa

Detalles Bibliográficos
Autores principales: Goreshnik, Evgeny, Vakulka, Andrii, Tavčar, Gašper
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626621/
https://www.ncbi.nlm.nih.gov/pubmed/37936871
http://dx.doi.org/10.1107/S2414314623004881
Descripción
Sumario:The crystal structure of the low-temperature modification of Ba(BF(4))(2)(H(2)O)(3), barium bis(tetra­fluorido­borate) trihydrate, was determined at 150 K. In contrast to the room-temperature modification, which crystallizes in the space group C222(1) [a = 7.1763 (6), b = 18.052 (2), c = 7.1631 (6) Å, V = 927.93 (15) Å(3) at 300 K, Z = 4; Charkin et al. (2023 ▸). J. Struct. Chem. 64, 253–261], the low-temperature phase is monoclinic, space group P2(1) [a = 7.0550 (4), b = 7.1706 (3), c = 9.4182 (6) Å, β = 109.295 (7)( o ), V = 449.68 (5) Å(3), Z = 2]. The structure of the low-temperature modification of Ba(BF(4))(2)(H(2)O)(3) features O—H⋯F and O—H⋯O hydrogen bonding between water mol­ecules and BF(4) (−) anions. One of the coordinating water mol­ecules in the low-temperature modification is disordered over two sets of sites. [Image: see text]

Ejemplares similares