Bis(cobaltocenium) tetrachloridocobaltate(II) dichloromethane 1.2-solvate

Shaw, Michael J.; Xu, Nan; Caveny, Ian E; Abucayon, Erwin G.; Ramuglia, Anthony R.; Richter‐Addo, George B.

doi:10.1107/s2414314618005527

Cited by 2 publications

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“…The precipitate was filtered off, and extraction of that solid with CD 3 CN yielded a yellow solution (and black precipitate). The 1 H NMR (Figure S11) of the yellow reaction solution shows a sharp peak at δ = 5.70 ppm, which is consistent with the known chemical shifts for the Cp protons of [CoCp 2 ] + , as its chloride salt, but shows no peaks attributable to the btzp ligand. If two equivalents of CoCp 2 are used in the initial reduction, excess CoCp 2 remains, thus a doubly reduced state cannot be accessed under these conditions.…”

Section: Resultssupporting

confidence: 73%

Gauging the Redox Non‐Innocence of a Highly Pi‐Acidic Bis‐Tetrazine Pincer Ligand

et al. 2019

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A 1:1 complex of a 2,6-bis-tetrazinylpyridine pincer ligand, btzp, with ZnCl 2 is characterized. The molecule is shown to be redox active by cyclic voltammetry and by chemical reduction. The resulting monoanion loses chloride to yield a radical species [Zn(btzp)Cl] whose EPR spectrum is observed. DFT studies show that the electron added upon reduction goes into an orbital primarily comprised of tetrazine nitrogen pπ character. The Zn-Cl bonds lengthen but the Zn-N tz bonds shorten upon reduction, in response to taking on amide character. In [a]

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Section: Resultssupporting

confidence: 73%

Gauging the Redox Non‐Innocence of a Highly Pi‐Acidic Bis‐Tetrazine Pincer Ligand

et al. 2019

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Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones

Henn

2019

Crystallography Reviews

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Normal probability plots and corresponding histograms of the residuals for 1 and 2. Additional simulation of the histogram of data generated from two Gaussians with different variances -Fig.2: fraction of data with Miller triples being a multiple of 3 and fraction of rare events ||>3 from these fractions for 1 and 2 -Fig.3: BayCon plots (X), X = (I c , , sintl, I o / (Io)) and corresponding  2 values for 1 and 2 -Fig:4: BayCon plots (  X), X = (I c , , sintl, I o / (Io)) and corresponding  2 values for 1 and 2 -Fig5: Squared residuals in individual bins of the data sorted by significance I o / (Io); observed intensity, I o ; and resolution (sin / respectively for 1 and 2 -Fig.6: Correlation coefficients cc(  ,  cc(  ,  cc(  ,  for the data sorted in increasing order of the significance of the observed intensities for 1 and 2 -Fig 7: Diagnostic plots for the neutron diffraction data set oxa14 from Kaminski et a Description of a simulation for testing the standard deviations sqrt(1/Nref) of the correlation coefficients with the help of random numbers.

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Bis(cobaltocenium) tetrachloridocobaltate(II) dichloromethane 1.2-solvate

Cited by 2 publications

References 9 publications

Gauging the Redox Non‐Innocence of a Highly Pi‐Acidic Bis‐Tetrazine Pincer Ligand

Gauging the Redox Non‐Innocence of a Highly Pi‐Acidic Bis‐Tetrazine Pincer Ligand

Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones

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