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Powder diffraction data of dibromidodioxido-[(4,4′-di-tert-butyl)-2,2′-bipyridine]molybdenum(VI) (C18H24Br2MoN2O2)

Published online by Cambridge University Press:  13 June 2025

Julián F. Torrado G. ,
Cristhian C. Álvarez ,
Oscar Rodríguez B. ,
Jose G. Carriazo  and
Nelson J. Castellanos Open the ORCID record for Nelson J. Castellanos [Opens in a new window]
Julián F. Torrado G.
Affiliation:
Laboratorio de Diseño y Reactividad de Estructuras Sólidas (Lab-DRES, 125), Departamento de Química, Facultad de Ciencias, Universidad Nacional de Colombia, Carrera 30 No. 45-03, Bogotá́, Colombia
Cristhian C. Álvarez
Affiliation:
Laboratorio de Difracción de Rayos X, Facultad de Ciencias, Universidad Nacional de Colombia, Carrera 30 No. 45-03, Bogotá́, Colombia
Oscar Rodríguez B.
Affiliation:
Grupo de Electroquímica y Termodinámica Computacional, Departamento de Química, Universidad Nacional de Colombia, Carrera 30 No. 45-03, Bogotá́, Colombia
Jose G. Carriazo
Affiliation:
Laboratorio de Diseño y Reactividad de Estructuras Sólidas (Lab-DRES, 125), Departamento de Química, Facultad de Ciencias, Universidad Nacional de Colombia, Carrera 30 No. 45-03, Bogotá́, Colombia
Nelson J. Castellanos*
Affiliation:
Laboratorio de Diseño y Reactividad de Estructuras Sólidas (Lab-DRES, 125), Departamento de Química, Facultad de Ciencias, Universidad Nacional de Colombia, Carrera 30 No. 45-03, Bogotá́, Colombia
*
Corresponding author: Nelson J. Castellanos; Email: njcastellanosm@unal.edu.co
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Abstract

This work reports the X-ray powder diffraction (XRPD) data recorded at room temperature (293 K) of dibromidodioxido-[(4,4′-di-tert-butyl)-2,2′-bipyridine]molybdenum(VI). The analysis of the powder diffraction pattern led to an orthorhombic united cell with parameters a = 17.9205(23) Å, b = 13.4451(16) Å, c = 18.1514(19) Å, V = 4,373.5(11) Å3, and values of Z = 8 and Z’ = 2. The crystal structure of this material corresponds to the structure of entry IFUJEC of the Cambridge Structural Database (CSD), determined at 90 K. The excellent Rietveld refinement, carried out with General Structure and Analysis Software II (GSAS-II), showed the single-phase nature of the material and the good quality of the data. This material was also characterized by elemental analysis, UV–vis, Fourier transform infrared spectroscopy (FTIR), and proton nuclear magnetic resonance (1H-NMR) techniques.

Keywords

(4,4′-di-tert-butyl)-2,2′-bipyridine liganddioxidomolybdenum(VI) complexX-ray powder diffractionroom temperatureRietveld refinement

Information

Type
New Diffraction Data
Information
Powder Diffraction , Volume 40 , Issue 4 , December 2025 , pp. 383 - 390
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Copyright
© The Author(s), 2025. Published by Cambridge University Press on behalf of International Centre for Diffraction Data

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