Characterization of [Rh(PhCOCHCOCH2CH2CH3)(CO)2] by X-ray crystallography, a computational and a statistical study

[Rh(PhCOCHCOCH2CH2CH3)(CO)2] is characterised by crystallographic and density functional theory computational methods. The experimental structure is compared to the calculated structure, as well as to the structurally similar compound [Rh(PhCOCHCOCH2CH3)(CO)2] using root-mean-square calculations and a half-normal probability plot analyses.

Graphical abstractCrystallographic and computational data of [Rh(PhCOCHCOCH2CH2CH3)(CO)2] compared by root-mean-square calculations and a half-normal probability plot analyses.Figure optionsDownload full-size imageDownload as PowerPoint slideResearch highlights► X-ray and density functional theory structures: [Rh(PhCOCHCO(CH2)nCH3)(CO)2] n = 1-2. ►Root-mean-square calculations showed differences and similarity of structures. ►Calculated and X-ray data compared using half-normal probability plot analyses.