Poly[propane-1,3-diammonium [diaqua(μ4-4-benzene-1,2,4,5-tetracarboxylato)cobaltate(II)] hemihydrate]
✍ Scribed by Aghabozorg, Hossein ;Attar Gharamaleki, Jafar ;Motyeian, Elham ;Ghadermazi, Mohammad
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 1010 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title polymeric compound, {(C~3~H~12~N~2~)[Co(C~10~H~2~O~8~)(H~2~O)~2~]·0.5H~2~O}~n~, was obtained by the reaction of cobalt(II) nitrate hexahydrate with the proton-transfer compound (pnH~2~)~2~(btc)·2H~2~O (pn = propane-1,3-diamine and btcH~4~ = benzene-1,2,4,5-tetracarboxylic acid) in aqueous solution. Each Co^2+^ ion is situated on a crystallographic twofold rotation axis and is coordinated in a distorted octahedral geometry by six O atoms [Co—O = 2.0650 (9)–2.1107 (8) Å] from two coordinated water molecules and four (btc)^4−^ ligands which also act as bridging ligands between Co^2+^ ions. In the crystal structure, a wide range of non-covalent interactions consisting of O—H...O, N—H...O and C—H...O hydrogen bonds, as well as ion pairing, van der Waals forces and C—H...π stacking between the propane-1,3-diammonium ions and the aromatic rings of benzene-1,2,4,5-tetracarboxylate ligands, connect the various fragments, forming a three-dimensional supramolecular structure. The crystal studied was an inversion twin.
📜 SIMILAR VOLUMES
The coordination geometry of the Co II atom in the title complex, [Co(NCO) 2 (C 12 H 12 N 6 ) 2 ] n or [Co(NCO) 2 (bbtz) 2 ] n , where bbtz is 1,4-bis(1,2,4-triazol-1-methyl)benzene, is distorted octahedral, in which the Co II atom lies on an inversion centre and is coordinated by four N atoms from
Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.013 A Ê R factor = 0.074 wR factor = 0.195 Data-to-parameter ratio = 11.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.