STRUCTURE OF bis(2,2′-BIPYRIDYL)bis(2,4,6-TRINITROPHENOLATO)-CALCIUM(II) [Ca(C10N2H8)2(C6N3O7H2)2]

[Ca (C10N2H8)2 (C6N3O7H2)2], Mγ = 808.7, m.p. = 488–498 K, orthorhombic, Pbca, a = 24.154(5), b = 16.128(5), c = 18.068(6) Å, v = 7038.5 Å, Z = 8, Dc = 1.528, Dm = 1.532 g cm (flotation), λ (Mo Kα) = 0.7107 Å, Zr filter, μ = 2.53 cm-1, F(000) = 3312, room temperature, R = 0.068 for 1263 observed ref...

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Bibliographic Details
Published in:Current science (Bangalore) 1989-10, Vol.58 (20), p.1125-1130
Main Authors: PADMANABHAN, V. M., YADAVA, V. S., CHANDRA, RAMESH, POONIA, N. S.
Format: Article
Language:English
Subjects:
Atoms
Calcium
Crystal structure
Crystals
Hydrogen
Ligands
Molecular structure
Polyhedrons
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Summary:[Ca (C10N2H8)2 (C6N3O7H2)2], Mγ = 808.7, m.p. = 488–498 K, orthorhombic, Pbca, a = 24.154(5), b = 16.128(5), c = 18.068(6) Å, v = 7038.5 Å, Z = 8, Dc = 1.528, Dm = 1.532 g cm (flotation), λ (Mo Kα) = 0.7107 Å, Zr filter, μ = 2.53 cm-1, F(000) = 3312, room temperature, R = 0.068 for 1263 observed reflections. Calcium is eight-coordinated to the four N atoms of 2,2′-bipyridines (bipy) and to the four O atoms belonging to the two trinitrophenolates (tnp) in a distorted square antiprism geometry. In the coordination polyhedra, distances between Ca and phenolic O atoms are shorter than the other Ca–O and Ca–N bond distances. The nitro groups are rotated out of the ring planes of tnp. In both bipy molecules the rings are in the twisted conformation.
ISSN:0011-3891