Crystal structure of methylammonium hexachloromolybdate(III) chloride and dimethylammonium hexachloromolybdate(III) chloride

Ivan Leban and Primož Šegedin

Abstract

Crystal data: (I) Methylammonium hexachloromolybdate(III) Chloride, (CH3NH3)4[MoCl6]Cl, Mr = 472.38, orthorhombic, Pbam; a = 12.596(3), b = 9.923(2), c = 7.333(2) Å, V = 916.6(7) Å3, T = 293(2) K, Dx = 1.711(1) g cm−3, Dm = 1.70(2) g cm−3, Z = 2, F(000) = 474, Mo radiation, λ = 0.71069 Å, μ = 17.16 g cm−1, final R = 0.043 and Rw = 0.048 for 1325 observed reflections [I > 3 σ (I)]. (II) Dimethylammonium hexachloromolybdate(III) chloride, [(CH3)2NH2]4[MoCl6]Cl, Mr = 528.48, orthorhombic, P21212; a = 12.867(2), b = 10.158(2), c = 8.719(2) Å, V = 1145.3(7) Å3, T = 293(2) K, Dx = 1.532(1) g cm−3, Dm = 1.53(2) g cm−3, Z = 2, F(000) = 538, Mo radiation, λ = 0.71069 Å, μ = 13.81 cm−1, final R = 0.019 and Rw = 0.020 for 1548 observed reflections [I > 3 σ (I)]. There exist alternate layers of [Cation/[MoCl6]3−] and [Cation/Cl] parallel to the (a, b) plane in both structures interlinked by hydrogen bonds N–H…Cl. The space group of compound (II) is a subgroup of the space group of compound (I). The symmetry reduction (PbamP21212) results from the orientation of the [Me2NH2]+ ions in compound (II).

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Zeitschrift für Kristallographie – Crystalline Materials offers a place for researchers to present results of their crystallographic studies. The journal includes theoretical as well as experimental research. It publishes Original Papers, Letters and Review Articles in manifold areas of crystallography.

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