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Crystal structures of Ca(ClO4)2·4H2O and Ca(ClO4)2·6H2O.

Hennings E, Schmidt H, Voigt W - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The structure of the hexa-hydrate contains two different Ca(2+) cations, each coordinated by six water mol-ecules and two O atoms of two perchlorate tetra-hedra, forming [Ca(H2O)6(ClO4)]2 dimers by sharing two ClO4 tetra-hedra.The dimers are arranged in sheets parallel (001) and alternate with layers of non-coordinating ClO4 tetra-hedra.O-H⋯O hydrogen bonds between the water mol-ecules as donor and ClO4 tetra-hedra and water mol-ecules as acceptor groups lead to the formation of a three-dimensional network in the two structures.

View Article: PubMed Central - HTML - PubMed

Affiliation: TU Bergakademie Freiberg, Institute of Inorganic Chemistry, Leipziger Strasse 29, D-09596 Freiberg, Germany.

ABSTRACT
The title compounds, calcium perchlorate tetra-hydrate and calcium perchlorate hexa-hydrate, were crystallized at low temperatures according to the solid-liquid phase diagram. The structure of the tetra-hydrate consists of one Ca(2+) cation eightfold coordinated in a square-anti-prismatic fashion by four water mol-ecules and four O atoms of four perchlorate tetra-hedra, forming chains parallel to [01-1] by sharing corners of the ClO4 tetra-hedra. The structure of the hexa-hydrate contains two different Ca(2+) cations, each coordinated by six water mol-ecules and two O atoms of two perchlorate tetra-hedra, forming [Ca(H2O)6(ClO4)]2 dimers by sharing two ClO4 tetra-hedra. The dimers are arranged in sheets parallel (001) and alternate with layers of non-coordinating ClO4 tetra-hedra. O-H⋯O hydrogen bonds between the water mol-ecules as donor and ClO4 tetra-hedra and water mol-ecules as acceptor groups lead to the formation of a three-dimensional network in the two structures. Ca(ClO4)2·6H2O was refined as a two-component inversion twin, with an approximate twin component ratio of 1:1 in each of the two structures.

No MeSH data available.


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Formation of sheets and inter­connection of chains via hydrogen bonds in Ca(ClO4)2·4H2O. Only the strongest hydrogen bonds are shown, represented by dashed lines.
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fig3: Formation of sheets and inter­connection of chains via hydrogen bonds in Ca(ClO4)2·4H2O. Only the strongest hydrogen bonds are shown, represented by dashed lines.

Mentions: The perchlorate tetra­hedra in the structure of Ca(ClO4)·4H2O are shared between two adjacent Ca2+ ions, forming chains extending parallel to [01] (Fig. 3 ▶) whereby each Ca2+ ion is connected along the chain on one side with a pair of Cl1 perchlorate tetra­hedra, and on the opposite side with a pair of Cl2 perchlorate tetra­hedra. The chains are arranged in sheets parallel to (01) and are linked by O—H⋯O hydrogen bonds into a three-dimensional network with similar O⋯O distances between the water mol­ecules and the perchlorate tetra­hedra (Table 1 ▶).


Crystal structures of Ca(ClO4)2·4H2O and Ca(ClO4)2·6H2O.

Hennings E, Schmidt H, Voigt W - Acta Crystallogr Sect E Struct Rep Online (2014)

Formation of sheets and inter­connection of chains via hydrogen bonds in Ca(ClO4)2·4H2O. Only the strongest hydrogen bonds are shown, represented by dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257416&req=5

fig3: Formation of sheets and inter­connection of chains via hydrogen bonds in Ca(ClO4)2·4H2O. Only the strongest hydrogen bonds are shown, represented by dashed lines.
Mentions: The perchlorate tetra­hedra in the structure of Ca(ClO4)·4H2O are shared between two adjacent Ca2+ ions, forming chains extending parallel to [01] (Fig. 3 ▶) whereby each Ca2+ ion is connected along the chain on one side with a pair of Cl1 perchlorate tetra­hedra, and on the opposite side with a pair of Cl2 perchlorate tetra­hedra. The chains are arranged in sheets parallel to (01) and are linked by O—H⋯O hydrogen bonds into a three-dimensional network with similar O⋯O distances between the water mol­ecules and the perchlorate tetra­hedra (Table 1 ▶).

Bottom Line: The structure of the hexa-hydrate contains two different Ca(2+) cations, each coordinated by six water mol-ecules and two O atoms of two perchlorate tetra-hedra, forming [Ca(H2O)6(ClO4)]2 dimers by sharing two ClO4 tetra-hedra.The dimers are arranged in sheets parallel (001) and alternate with layers of non-coordinating ClO4 tetra-hedra.O-H⋯O hydrogen bonds between the water mol-ecules as donor and ClO4 tetra-hedra and water mol-ecules as acceptor groups lead to the formation of a three-dimensional network in the two structures.

View Article: PubMed Central - HTML - PubMed

Affiliation: TU Bergakademie Freiberg, Institute of Inorganic Chemistry, Leipziger Strasse 29, D-09596 Freiberg, Germany.

ABSTRACT
The title compounds, calcium perchlorate tetra-hydrate and calcium perchlorate hexa-hydrate, were crystallized at low temperatures according to the solid-liquid phase diagram. The structure of the tetra-hydrate consists of one Ca(2+) cation eightfold coordinated in a square-anti-prismatic fashion by four water mol-ecules and four O atoms of four perchlorate tetra-hedra, forming chains parallel to [01-1] by sharing corners of the ClO4 tetra-hedra. The structure of the hexa-hydrate contains two different Ca(2+) cations, each coordinated by six water mol-ecules and two O atoms of two perchlorate tetra-hedra, forming [Ca(H2O)6(ClO4)]2 dimers by sharing two ClO4 tetra-hedra. The dimers are arranged in sheets parallel (001) and alternate with layers of non-coordinating ClO4 tetra-hedra. O-H⋯O hydrogen bonds between the water mol-ecules as donor and ClO4 tetra-hedra and water mol-ecules as acceptor groups lead to the formation of a three-dimensional network in the two structures. Ca(ClO4)2·6H2O was refined as a two-component inversion twin, with an approximate twin component ratio of 1:1 in each of the two structures.

No MeSH data available.


Related in: MedlinePlus