Crystallochemistry laboratory

Chemistry Department, Warsaw University

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dr Sławomir Domagała

Article Index
dr Sławomir Domagała
Curriculum Vitae
Publication list
All Pages


Scientific interest:

  • structural analysis of transition metal complexes,
  • experimental charge density studies,
  • aspherical pseudo-atom database
  • scientific software development

Phone: +48 22 5526559

E-Mail: This e-mail address is being protected from spambots. You need JavaScript enabled to view it






PhD, Chemistry Department, Warsaw University, Poland,

Laboratory of Crystallochemistry; Supervisor: Prof. K. Woźniak,

Project: “Structure and properties of new supramolecular compounds

2002 MSc, Chemistry Department, Warsaw University, Poland,

Laboratory of Crystallochemistry; Supervisor: Prof. K. Woźniak

Project: “Structure of novel [2]catenanes and bismacrocyclic systems”


Employment Record

Oct. 2007 - Sept. 2010

Postdoctoral Research Associate at the Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (CRM2), Nancy Université, Faculté des Sciences et Techniques, Vandoeuvre-lès-Nancy, France

from Oct. 2010

Adjunct at the department of Chemistry, University of Warsaw, Poland


Scientific publications and presentations

  • 24 scientific papers
  • 10 oral communications and 13 poster presentations

Scientific interests

  • Structural analysis of transition metal complexes
  • Experimental charge density studies
  • Aspherical pseudo-atom databases
  • Scientific software development

Research experience

  • Single X-ray crystallography, crystallographic software, crystal structure databases (CSD, ICSD)
  • Experimental charge density studies
  • Quantum calculations using Gaussian and CRYSTAL

Computer Science Skills

  • Java, good experience

  • Fortran, good experience

  • Perl, good experience

  • C, C++/Qt library, basic experience

  • Python, basic experience

  • Javascript, basic experience

  • svn, mercurial, git, basic experience

  • working experience with linux and windows operating systems

  • web frameworks (Vaadin, GWT), basic experience


English Fluent
French Basic





Original papers

  1. Korybut-Daszkiewicz B., Więckowska A., Bilewicz R., Domagała S., Woźniak K., Novel [2]Catenane Structures Introducing Communication between Transition Metal Centers via π...π Interactions, J. Am. Chem. Soc., 2001, 123, 9356-9366.

  2. Więckowska A., Bilewicz R., Domagała S., Woźniak K., Korybut-Daszkiewicz B., Tomkiewicz A., Mroziński J., Intermetallic Interactions in Face-to-Face Homo- and Heterodinuclear Bismacrocyclic Complexes of Copper(II) and Nickel(II), Inorg. Chem., 2003, 42, 5513-5522.

  3. Korybut-Daszkiewicz B., Więckowska A., Bilewicz R., Domagała S., Woźniak K., An Electrochemically Controlled Molecular Shuttle, Angewandte Chemie Int. Ed., 2004, 43, 1668-1672.

  4. Bilewicz R., Korybut-Daszkiewicz B., Rogowska A., Szydłowska J., Więckowska A., Domagała S., Woźniak K., Detection of Intramolecular Interactions and Molecular Motion in Catenanes by Pulse Voltammetry Methods, Electroanalysis, 2005, 17, 1463-1470.

  5. Domagała S., Więckowska A., Kowalski J., Rogowska A., Szydłowska J., Korybut-Daszkiewicz B., Bilewicz R., Woźniak K., Fine-tuning of properties of bismacrocyclic dinuclear cyclidene receptors by N-methylation, Chem. Eur. J., 2006, 12, 2967-2981.

  6. Rybka A., Koliński R., Domagała S., Kłak J., Mroziński J., Woźniak K., Korybut-Daszkiewicz B., Structural diversity of neutral bis-(b-iminoaldehyde) complexes of nickel(II), Inorganica Chimica Acta, 2006, 359, 4526-4534.

  7. Rybka A., Koliński R., Kowalski J., Szmigielski R., Domagała S., Woźniak K., Więckowska A., Bilewicz R., Korybut-Daszkiewicz B., Tuning Properties of Neutral Tetraazamacrocyclic Complexes of Copper(II) and Nickel(II) Towards Host-Guest Compounds with Bismacrocyclic Transition Metal Cations, Eur. J. Inorg. Chem., 2007, 172-185.

  8. Bieńko A., Kłak J., Mroziński J., Domagała S., Korybut-Daszkiewicz B., Woźniak K., Magnetism and crystal structures of CuIIMnII and CuIINiII ordered bimetallic chains, Polyhedron, 2007, 26(17), 5030-5038.

  9. Domagała S. and Jelsch C., Optimal local axes and symmetry assignment for charge-density refinement, J. Appl. Cryst., 2008, 41, 1140-1149.

  10. Wawrzyniak U. E., Woźny M., Kowalski J., Domagała S., Maicka E., Bilewicz R., Woźniak K., Korybut-Daszkiewicz B., Neutral Nickel(II) and Copper(II) Tetraazamacrocyclic Complexes as Molecular Rods Attached to Gold Electrodes, Chem. Eur. J., 2009, 15, 149-157.

  11. Domagała S., Korybut-Daszkiewicz B., Straver L., Woźniak K., Determination of Experimental Charge Density in Model Nickel Macrocycle: [3,11-bis(methoxycarbonyl)-1,5,9,13-tetraazacyclohexadeca-1,3,9,11-tetraenato-(2-)-κ4N] nickel(II), Inorg. Chem., 2009, 48, 4010-4020.

  12. Kuźmicz R., Kowalska V., Domagała S., Stachowicz M., Woźniak K., Kołodziejski W., X-ray Diffraction, FT-IR, and 13C CP/MAS NMR Structural Studies of Solvated and Desolvated C-Methylcalix[4]resorcinarene, J. Phys. Chem. B., 2010, 114, 10311-10320.

  13. Domagała S., Munshi P., Ahmed M., Guillot B., Jelsch C., Structural Analysis and Multipole Modelling of Quercetin Monohydrate - A Quantitative and Comparative Study, Acta Cryst. 2011, B67, 63-78.

  14. Kamiński R., Kowalski J., Mames I., Korybut-Daszkiewicz B., Domagała S., Woźniak K., The role of the C–H…π interactions in the cyclisation reactions leading to new aryl-bridged tetraazamacrocyclic complexes of copper and nickel, Eur. J. Inorg. Chem., 2011, 479-488.

  15. Bąk J. M., Domagała S., Hübschle C., Jelsch C., Dittrich B., Dominiak P. M., Verification of the structural and electrostatic properties obtained by the use of the different pseudoatom databases, Acta Cryst. 2011, A67, 141-153.

  16. Domagała S., Fournier B., Liebschner D., Guillot B., Jelsch C., An improved experimental databank of transferable multipolar atom models - ELMAM2. Construction details and applications, Acta Cryst. 2012, A68, 337-351.

  17. Domagała S., Małecka J., Michałowicz A., Mames I., Kamieński B., Woźny M., Bilewicz R., Korybut-Daszkiewicz B., Woźniak K., Flexible Mono- and Bis-tetraazamacrocyclic Complexes of Copper and Nickel Stabilising Different Oxidation States Eur. J. Inorg. Chem., 2012, 3680-3690.

  18. Ahmed, M., Jelsch, C., Guillot, B., Lecomte, C., & Domagała, S., Relationship Between Stereochemistry and Charge Density in Hydrogen Bonds with Oxygen Acceptors. (2013). Crystal Growth & Design. 13, 315-325.

  19. Kamiński R., Jarzembska K. N., Domagała S.,CLUSTERGEN: a program for molecular cluster generation from crystallographic data, J. Appl. Cryst. 2013, 46, 540-543.

  20. Kamiński R., Domagała S., Jarzembska K. N., Hoser A. A., Sanjuan-Szklarz W. F., Gutmann M. J., Makal A., Malińska M., Bąk J. M., Woźniak K., Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments. Acta Cryst. 2014, A70, 72-91.

  21. Kumar P., Bojarowski S. A., Jarzembska K. N., Domagała S., Vanommeslaeghe K., MacKerell Jr A . D., Dominiak P. M., A comparative study of transferable aspherical pseudoatom databank and classical force fields for predicting electrostatic interactions in molecular dimers. JCTC 2014, 10(4), 1652-1664.

  22. Domagała S., Kosc K., Robinson S. W., Haynes D. A., Woźniak K., Dithiadiazolyl Radicals - Structures and Charge Densities of Their Crystals and Co-Crystal. (2014) Crystal Growth & Design. 14 (9), 4834-4848.

  23. Tokarz P., Kaszyński P., Domagała S., Woźniak K., The [closo-B12H11-1-IAr] zwitterion as a precursor to monosubstituted derivatives of [closo-B12H12]2−J. Organomet. Chem., 2015, 798, 70-79.



Last Updated on Tuesday, 29 December 2015 20:14  

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