Radosław Kamiński

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The harmonic model of atomic nuclear motions is usually enough for multipole modelling of high-resolution X-ray diffraction data; however, in some molecular crystals, such as 1-(2'-aminophenyl)-2-methyl-4-nitro-1H-imidazole [Paul, Kubicki, Jelsch et al. (2011 ▶). Acta Cryst. B67, 365-378], it may not be sufficient for a correct description of the(More)
A new dinuclear complex (NiC(5)H(4)SiMe(2)CHCH(2))(2) (2) was prepared by reacting nickelocene derivative [(C(5)H(4)SiMe(2)CH=CH(2))(2)Ni] (1) with methyllithium (MeLi). Good quality crystals were subjected to a high-resolution X-ray measurement. Subsequent multipole refinement yielded accurate description of electron density distribution. Detailed(More)
A comprehensive analysis of various properties derived from multiple high-resolution X-ray diffraction experiments is reported. A total of 13 charge-density-quality data sets of α-oxalic acid dihydrate (C2H2O4·2H2O) were subject to Hansen-Coppens-based modelling of electron density. The obtained parameters and properties were then statistically analysed(More)
In studies of dynamic changes in crystals in which induced metastable species may have lifetimes of microseconds or less, refinements are most sensitive if based on the changes induced in the measured intensities. Agreement factors appropriate for such refinements, based on the ratios of the intensities before and after the external perturbation is applied,(More)
The accuracy that can be achieved in single-pulse pump-probe Laue experiments is discussed. It is shown that with careful tuning of the experimental conditions a reproducibility of the intensity ratios of equivalent intensities obtained in different measurements of 3-4% can be achieved. The single-pulse experiments maximize the time resolution that can be(More)
It is shown that the structural and physicochemical properties of arylboronic azaesters result from the properties of the key B-N bond. This bond is different in arylboronic azaesters from typical single/double/triple B-N bonds present in other boron-nitrogen compounds. By studying a model example,(More)
The aim of this study was to test the applicability of a Bruker AXS CMOS-type PHOTON 100 detector for the purpose of a fine charge density quality data collection. A complex crystal containing oxalic acid, ammonium oxalate and two water molecules was chosen as a test case. The data was collected up to a resolution of 1.31 Å(-1) with high completeness(More)
We report the experimental charge density of HEPES [4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid], which is a common buffering agent. The structure was refined using the Hansen-Coppens formalism. The ability of the HEPES molecule to form stable intermolecular interactions and intermolecular hydrogen bonds in the crystal structure is discussed in terms(More)
A remarkable nickelacycle has been synthesised via olefin metathesis of the α,ω-diene complex [Ni(η5-C5H4R)(Br)(NHC)] (R = C(CH3)2CH2CH[double bond, length as m-dash]CH2, NHC = 1-(6-hexenyl)-3-(2,4,6-trimethylphenyl)-imidazol-2-ylidene). Single-crystal X-ray analysis reveals a helical shape of the molecule and stretching of some interatomic distances in the(More)