Metal distribution and disorder in the crystal structure of [NH2Et2][Cr7MF8(tBuCO2)16] wheel molecules for M = Mn, Fe, Co, Ni, Cu, Zn and CdCitation formats

  • External authors:
  • Finn Krebs Larsen
  • Jacob Overgaard
  • Mogens Christensen
  • Garry James Mcintyre
  • Grigore Timco

Standard

Metal distribution and disorder in the crystal structure of [NH2Et2][Cr7MF8(tBuCO2)16] wheel molecules for M = Mn, Fe, Co, Ni, Cu, Zn and Cd. / Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; Mcintyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.

In: Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online), Vol. 70, No. 6, 01.12.2014, p. 932-941.

Research output: Contribution to journalArticlepeer-review

Harvard

Larsen, FK, Overgaard, J, Christensen, M, Mcintyre, GJ, Timco, G & Winpenny, REP 2014, 'Metal distribution and disorder in the crystal structure of [NH2Et2][Cr7MF8(tBuCO2)16] wheel molecules for M = Mn, Fe, Co, Ni, Cu, Zn and Cd', Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online), vol. 70, no. 6, pp. 932-941. https://doi.org/10.1107/S2052520614019179

APA

Larsen, F. K., Overgaard, J., Christensen, M., Mcintyre, G. J., Timco, G., & Winpenny, R. E. P. (2014). Metal distribution and disorder in the crystal structure of [NH2Et2][Cr7MF8(tBuCO2)16] wheel molecules for M = Mn, Fe, Co, Ni, Cu, Zn and Cd. Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online), 70(6), 932-941. https://doi.org/10.1107/S2052520614019179

Vancouver

Larsen FK, Overgaard J, Christensen M, Mcintyre GJ, Timco G, Winpenny REP. Metal distribution and disorder in the crystal structure of [NH2Et2][Cr7MF8(tBuCO2)16] wheel molecules for M = Mn, Fe, Co, Ni, Cu, Zn and Cd. Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online). 2014 Dec 1;70(6):932-941. https://doi.org/10.1107/S2052520614019179

Author

Larsen, Finn Krebs ; Overgaard, Jacob ; Christensen, Mogens ; Mcintyre, Garry James ; Timco, Grigore ; Winpenny, Richard E. P. / Metal distribution and disorder in the crystal structure of [NH2Et2][Cr7MF8(tBuCO2)16] wheel molecules for M = Mn, Fe, Co, Ni, Cu, Zn and Cd. In: Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online). 2014 ; Vol. 70, No. 6. pp. 932-941.

Bibtex

@article{a26d4a46d04e408282bed0e52b3210cf,
title = "Metal distribution and disorder in the crystal structure of [NH2Et2][Cr7MF8(tBuCO2)16] wheel molecules for M = Mn, Fe, Co, Ni, Cu, Zn and Cd",
abstract = "The homometallic wheel compound [Cr8F8(O2CCMe3)16] formed with fluorine and pivalic acid ligands can be modified by introducing in the synthesis process a divalent cation M capable of octahedral coordination instead of one of the trivalent Cr centres in the ring. Heterometallic mono-anionic species [Cr7MF8(O2CCMe3)16]− can form diethylammonium salts and be crystallized from ethylacetate solution as compounds with the general formula [NH2Et2][Cr7MF8(tBuCO2)16][C4H8O2]0.5 for M = Mn, Fe, Co, Ni, Cu, Zn and Cd. Their structures are isomorphous, belonging to the space group P21/c. The study has determined the degree of order for the individual M heterometal over the possible metal positions of the ring in the crystal structure by modelling based on X-ray diffraction data. The model took into account disorder in tert-butyl groups of the pivalate ligands and in the position and orientation of the ethylacetate solvent molecule. The heterometal turned out to be partly ordered in the crystal structure.",
author = "Larsen, {Finn Krebs} and Jacob Overgaard and Mogens Christensen and Mcintyre, {Garry James} and Grigore Timco and Winpenny, {Richard E. P.}",
year = "2014",
month = dec,
day = "1",
doi = "10.1107/S2052520614019179",
language = "English",
volume = "70",
pages = "932--941",
journal = "Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online)",
issn = "2052-5206",
publisher = "John Wiley & Sons Ltd",
number = "6",

}

RIS

TY - JOUR

T1 - Metal distribution and disorder in the crystal structure of [NH2Et2][Cr7MF8(tBuCO2)16] wheel molecules for M = Mn, Fe, Co, Ni, Cu, Zn and Cd

AU - Larsen, Finn Krebs

AU - Overgaard, Jacob

AU - Christensen, Mogens

AU - Mcintyre, Garry James

AU - Timco, Grigore

AU - Winpenny, Richard E. P.

PY - 2014/12/1

Y1 - 2014/12/1

N2 - The homometallic wheel compound [Cr8F8(O2CCMe3)16] formed with fluorine and pivalic acid ligands can be modified by introducing in the synthesis process a divalent cation M capable of octahedral coordination instead of one of the trivalent Cr centres in the ring. Heterometallic mono-anionic species [Cr7MF8(O2CCMe3)16]− can form diethylammonium salts and be crystallized from ethylacetate solution as compounds with the general formula [NH2Et2][Cr7MF8(tBuCO2)16][C4H8O2]0.5 for M = Mn, Fe, Co, Ni, Cu, Zn and Cd. Their structures are isomorphous, belonging to the space group P21/c. The study has determined the degree of order for the individual M heterometal over the possible metal positions of the ring in the crystal structure by modelling based on X-ray diffraction data. The model took into account disorder in tert-butyl groups of the pivalate ligands and in the position and orientation of the ethylacetate solvent molecule. The heterometal turned out to be partly ordered in the crystal structure.

AB - The homometallic wheel compound [Cr8F8(O2CCMe3)16] formed with fluorine and pivalic acid ligands can be modified by introducing in the synthesis process a divalent cation M capable of octahedral coordination instead of one of the trivalent Cr centres in the ring. Heterometallic mono-anionic species [Cr7MF8(O2CCMe3)16]− can form diethylammonium salts and be crystallized from ethylacetate solution as compounds with the general formula [NH2Et2][Cr7MF8(tBuCO2)16][C4H8O2]0.5 for M = Mn, Fe, Co, Ni, Cu, Zn and Cd. Their structures are isomorphous, belonging to the space group P21/c. The study has determined the degree of order for the individual M heterometal over the possible metal positions of the ring in the crystal structure by modelling based on X-ray diffraction data. The model took into account disorder in tert-butyl groups of the pivalate ligands and in the position and orientation of the ethylacetate solvent molecule. The heterometal turned out to be partly ordered in the crystal structure.

U2 - 10.1107/S2052520614019179

DO - 10.1107/S2052520614019179

M3 - Article

VL - 70

SP - 932

EP - 941

JO - Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online)

JF - Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online)

SN - 2052-5206

IS - 6

ER -