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Single crystals of Ca 2 [C 6 H 2 (COO) 4 ]·6H 2 O were grown in aqueous silica gel. Ca 2+  has CN 6+2. The coordination polyhedron is formed by three water molecules and five oxygen atoms of carboxylate groups. Six oxygen atoms are closely bound (235,9-243,9 pm), the two remaining coordination partners are considerably more remote from Ca 2+  (268,2 and 273,8 pm). COO -  groups chelate Ca 2+  in an asymmetric manner, but the C -O bond lengths do not differ markedly (125,2-126,3 pm). The connection of Ca 2+  with [C 6 H 2 (COO) 4 ] 4-  leads to rigid layers. Adjacent layers are interlinked by hydrogen bonds. Those oxygen atoms which are weakly bound to Ca 2+  are favoured as proton acceptors in hydrogen bonds. The COO groups are tilted differently against the C 6 -ring plane. One is approximately coplanar, but the other is oriented almost perpendicularly.

zeitschrift für naturforschung b

Komplexe mit aromatischen Carbonsäuren, IV. Ca 2 [C 6 H 2 (COO) 4 ]·6H 2 O - Eine neue Schichtstruktur/ Complexes with Aromatic Carboxylic Acids, IV. Ca 2 [C 6 H 2 (COO) 4 ]·6H 2 O - A Novel Layer Structure