Fig. 1: Crystal structure information of (CH3–(CH2)n−1–NH3)2MnCl4 (n = 10) from single-crystal X-ray diffraction. | NPG Asia Materials

Fig. 1: Crystal structure information of (CH3–(CH2)n−1–NH3)2MnCl4 (n = 10) from single-crystal X-ray diffraction.

From: Reversible colossal barocaloric effect dominated by disordering of organic chains in (CH3–(CH2)n−1–NH3)2MnCl4 single crystals

Fig. 1

a Molecular structure diagram of (CH3–(CH2)n−1–NH3)2MnCl4 (n = 10) at 298 K, where the (CH3–(CH2)n−1–NH3)+ organic chains connect to the MnCl42 framework via NH…Cl hydrogen bonds. The morphology of the crystal (determined by optical microscopy) is shown in the lower left corner, as in the upper right corner are the DSC results at atmospheric pressure with heating and cooling rates of 0.1 K min−1. At 298 K, b the organic–inorganic–organic layer structure viewed along the b axis, c monoclinic lattice and molecular arrangement, and (d) distorted arrangement of the MnCl6 octahedra. At 320 K, e the structure with disordered organic chains, f the tetragonal lattice, and (g) the regular arrangement of MnCl6 octahedra. h and i comparably show the MnCl6 coordination at 298 K and 320 K.

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