New molecular perovskites: cubic C(4)N(2)H(12).NH(4)Cl(3).H(2)O and 2-H hexagonal C(6)N(2)H(14).NH(4)Cl(3).
The room-temperature syntheses and single-crystal structures of C(4)N(2)H(12).NH(4)Cl(3).H(2)O and C(6)N(2)H(14).NH(4)Cl(3) are reported. These novel molecular perovskites contain vertex-sharing octahedral (NH(4))Cl(6) arrays which replicate the octahedral packing in the cubic (SrTiO(3)) and 2-H hexagonal (BaNiO(3)) perovskite structures, respectively. The structures are completed by doubly protonated organic cations and, for the cubic phase, water molecules. Crystal data: C(4)N(2)H(12).NH(4)Cl(3).H(2)O, M(r) = 230.56, orthorhombic, Pbcm (No. 57), a = 6.5279(13) A, b = 12.935(3) A, c = 12.849(3) A, V = 1085.0(4) A(3), Z = 4; C(6)N(2)H(14).NH(4)Cl(3), M(r) = 238.59, trigonal, Pthremacr;c1 (No. 165), a = 16.1616(2) A, c = 22.3496(4) A, V = 5055.5(2) A(3), Z = 18.
Bremner
Colin A
CA
Department of Chemistry, University of Aberdeen, Aberdeen, AB24 3UE, Scotland.
Simpson
Michael
M
Harrison
William T A
WT