Bis(N-benzoylglycinato)diimidazolecobalt(II)

Abstract

Key indicatorsSingle-crystal X-ray study T = 100 K Mean (C-C) = 0.004 Å R factor = 0.039 wR factor = 0.060 Data-to-parameter ratio = 16.7For details of how these key indicators were automatically derived from the article, see

Simplest Homoleptic Metal-Centered Tetrahedrons, [M(OH2)4]2+, in 1-Ethyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid (M = Co, Ni, Cu)

“…Its molecular and crystal structures were determined by single crystal X-ray diffraction. As expected, Co 2+ is surrounded by four HMPA molecules with T d symmetry as shown in Figure S1 of the Supporting Information . Although the weighted and unweighted agreement factors are relatively large, no significant residual electron density was found in the final Fourier map (Δρ max = 1.030 e – ·Å –3 , Δρ min = −0.730 e – ·Å –3 ).…”

“…The curve fit using a single Co–O shell indicates that Co 2+ is surrounded by 4.2 O atoms with a Co–O distance of 2.17 Å. The latter is indeed longer than the usual lengths in T d symmetry (typically 1.95 Å found in [Co(HMPA) 4 ] 2+ and ref ), while closer to, but still slightly longer than, those of O h [Co(OH 2 ) 6 ] 2+ (2.06–2.14 Å) . By combining the EXAFS and UV–vis data, it can be concluded that the T d [Co(OH 2 ) 4 ] 2+ is formed in [emim]BF 4 .…”

“…As expected, Co 2+ is surrounded by four HMPA molecules with T d symmetry as shown in Figure S1 of the Supporting Information. 10 Although the weighted and unweighted agreement factors are relatively large, no significant residual electron density was found in the final Fourier map (Δρ max = 1.030 e − •Å −3 , Δρ min = −0.730 e − •Å −3 ). The uncertainty may arise from the largely disordered F atoms of BF 4…”

“…The Co−O interatomic distances are in the range of 1.938−1.953 Å (mean 1.95 Å) and are similar to another Co 2+ complex in T d symmetry. 10 Although the O− Co−O bond angle is scattering widely from 104.0°to 116.7°, the mean value is 109.5°, which is ideal for the regular tetrahedron.…”