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• W2323219683 abstract "Rubidium guanidinate, RbCN(3)H(4), was synthesized from guanidine and rubidium hydride, and the crystal structure was determined from powder X-ray diffraction (PXRD) data. RbCN(3)H(4) crystallizes in the orthorhombic space group Pnma (No. 62) with four formula units per cell. The guanidinate anions are arranged in double chains running along the b axis, stacked almost perpendicularly to each other to form a three-dimensional network. The rubidium cations, coordinated by 11 N atoms, occupy the vacancies of the network in a zigzag motif along the b axis. Because the PXRD structure of the CN(3) core clearly indicates the N-atom functionalities and the location of the H-atom positions, the latter spatial parameters were determined from Perdew-Burke-Ernzerhof generalized gradient approximation (GGA-PBE) density functional theory calculations. The corresponding ν(NH) stretching modes can be observed in the IR spectrum, and the volume chemistry of RbCN(3)H(4) mirrors the efficient packing of the saltlike phase." @default.
• W2323219683 created "2016-06-24" @default.
• W2323219683 creator A5047528565 @default.
• W2323219683 creator A5066444330 @default.
• W2323219683 date "2011-03-11" @default.
• W2323219683 modified "2023-10-16" @default.
• W2323219683 title "RbCN₃H₄: The First Structurally Characterized Salt of a New Class of Guanidinate Compounds" @default.
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• W2323219683 doi "https://doi.org/10.1021/ic2002089" @default.
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