[Be(ND 3 ) 4 ]Cl 2 : Synthesis, Characterisation and Space‐Group Determination Guided by Solid‐State Quantum Chemical Calculations

Treatment of BeCl2 with dry liquid ND3 and subsequent removal of the solvent leads to the colourless microcrystalline powder of [Be(ND3)4]Cl2. It crystallises in the orthorhombic space group Pna21 with a = 9.395(4), b = 11.901(6), c = 6.761(3) A, V = 755.9(6) and Z = 4 at 27 °C, and a = 9.3736(8), b = 11.8162(12), c = 6.6596(6) A, V = 737.62(12) and Z = 4 at –269.6 °C. The structure contains the tetrahedral tetraammineberyllium(II) cation which follows the octet rule. It was shown to be stable under ambient conditions and temperatures up to approximately 175 °C. We additionally discuss the aid of solid-state quantum chemical calculations for the assignment of proper crystallographic space g…