Bond length of perchlorate at different temperatures: X-ray and neutron comparison.

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2020
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Abstract
The averages (average deviations from the mean are given in square brackets) of uncorrected Cl-O bond distances in a perchlorate anion from an X-ray diffraction analysis of (N-{2-[bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate, [Mn(CHNO)(NO)]ClO·2CHCN or [Mn(PaPy)(NO)]ClO·2CHCN, decrease from 1.447 [4] Å at 10 K to 1.428 [4] Å at 170 K. The 10 K value is close to the neutron value (1.441 [1] Å) at 18 K. Comparisons are made with a second X-ray study at 30 K [1.444 (8) Å] and to libration-corrected, density functional theory (DFT), and Cambridge Structural Database (CSD) values.
Reference Key
olmstead2020bondacta Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Olmstead, Marilyn M;
Journal acta crystallographica section c, structural chemistry
Year 2020
DOI
10.1107/S2053229620000388
URL
Keywords
crystal structure perchlorate neutron temperature dependence

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