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Crystal structure of tris-(ethyl-enedi-ammonium) hexasulfatopraseodymium(III) hexa-hydrate.

Held P - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the title salt, (C2H10N2)3[Pr2(SO4)6]·6H2O, the Pr(III) cation is surrounded ninefold by five sulfate groups (two monodentate and three chelating) and by one water mol-ecule [range of Pr-O bond lengths 2.383 (3) to 2.582 (3) Å].The [Pr(SO4)5(H2O)] groups are arranged in sheets parallel to (010).Two crystal water mol-ecules and two ethyl-enedi-ammonium cations (one with point group symmetry -1) connect the sheets via O-H⋯O and N-H⋯O hydrogen bonds from weak up to medium strength into a three-dimensional framework structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Institut für Kristallographie, Universität zu Köln, Greinstrasse 6, D-50939 Köln, Germany.

ABSTRACT
In the title salt, (C2H10N2)3[Pr2(SO4)6]·6H2O, the Pr(III) cation is surrounded ninefold by five sulfate groups (two monodentate and three chelating) and by one water mol-ecule [range of Pr-O bond lengths 2.383 (3) to 2.582 (3) Å]. The [Pr(SO4)5(H2O)] groups are arranged in sheets parallel to (010). Two crystal water mol-ecules and two ethyl-enedi-ammonium cations (one with point group symmetry -1) connect the sheets via O-H⋯O and N-H⋯O hydrogen bonds from weak up to medium strength into a three-dimensional framework structure.

No MeSH data available.


The mol­ecular entities in the structure of the title compound, showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) x, −y + , z + ; (ii) x + 1, y, z; (iii) −x, −y, −z + 1].
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fig1: The mol­ecular entities in the structure of the title compound, showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) x, −y + , z + ; (ii) x + 1, y, z; (iii) −x, −y, −z + 1].

Mentions: The asymmetric unit of the title compound contains three (SO4)2− anions, one and a half [NH2(CH3)]2+ cations (the other half being generated by inversion symmetry), one Pr3+ cation as well as three water mol­ecules (Fig. 1 ▶). The Pr3+ cation is surrounded by nine O atoms from five sulfate groups, two of which are monodentately bonding and three chelating, and of one water mol­ecule. The averaged Pr—O distance in the resulting distorted monocapped square-anti­prism, [Pr(SO4)5(H2O)], is 2.52 (7) Å. Praseodymium reaches an overall bond-valence sum (Brown & Altermatt, 1985 ▶) of 3.23 valence units. The S—O distances are nearly equal [average distance 1.479 (13) Å], however, the O—S—O angles vary [average bond angle 109.48 (2.05)°] clearly. One sulfate group (S2) inter­connects two [PrO9] polyhedra via two common edges parallel to [001], while another sulfate group (S3) connects via a common edge and a common vertex parallel to [100], leading to the formation of sheets parallel to (010).


Crystal structure of tris-(ethyl-enedi-ammonium) hexasulfatopraseodymium(III) hexa-hydrate.

Held P - Acta Crystallogr Sect E Struct Rep Online (2014)

The mol­ecular entities in the structure of the title compound, showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) x, −y + , z + ; (ii) x + 1, y, z; (iii) −x, −y, −z + 1].
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257211&req=5

fig1: The mol­ecular entities in the structure of the title compound, showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) x, −y + , z + ; (ii) x + 1, y, z; (iii) −x, −y, −z + 1].
Mentions: The asymmetric unit of the title compound contains three (SO4)2− anions, one and a half [NH2(CH3)]2+ cations (the other half being generated by inversion symmetry), one Pr3+ cation as well as three water mol­ecules (Fig. 1 ▶). The Pr3+ cation is surrounded by nine O atoms from five sulfate groups, two of which are monodentately bonding and three chelating, and of one water mol­ecule. The averaged Pr—O distance in the resulting distorted monocapped square-anti­prism, [Pr(SO4)5(H2O)], is 2.52 (7) Å. Praseodymium reaches an overall bond-valence sum (Brown & Altermatt, 1985 ▶) of 3.23 valence units. The S—O distances are nearly equal [average distance 1.479 (13) Å], however, the O—S—O angles vary [average bond angle 109.48 (2.05)°] clearly. One sulfate group (S2) inter­connects two [PrO9] polyhedra via two common edges parallel to [001], while another sulfate group (S3) connects via a common edge and a common vertex parallel to [100], leading to the formation of sheets parallel to (010).

Bottom Line: In the title salt, (C2H10N2)3[Pr2(SO4)6]·6H2O, the Pr(III) cation is surrounded ninefold by five sulfate groups (two monodentate and three chelating) and by one water mol-ecule [range of Pr-O bond lengths 2.383 (3) to 2.582 (3) Å].The [Pr(SO4)5(H2O)] groups are arranged in sheets parallel to (010).Two crystal water mol-ecules and two ethyl-enedi-ammonium cations (one with point group symmetry -1) connect the sheets via O-H⋯O and N-H⋯O hydrogen bonds from weak up to medium strength into a three-dimensional framework structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Institut für Kristallographie, Universität zu Köln, Greinstrasse 6, D-50939 Köln, Germany.

ABSTRACT
In the title salt, (C2H10N2)3[Pr2(SO4)6]·6H2O, the Pr(III) cation is surrounded ninefold by five sulfate groups (two monodentate and three chelating) and by one water mol-ecule [range of Pr-O bond lengths 2.383 (3) to 2.582 (3) Å]. The [Pr(SO4)5(H2O)] groups are arranged in sheets parallel to (010). Two crystal water mol-ecules and two ethyl-enedi-ammonium cations (one with point group symmetry -1) connect the sheets via O-H⋯O and N-H⋯O hydrogen bonds from weak up to medium strength into a three-dimensional framework structure.

No MeSH data available.