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Kristallstrukturbestimmung

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Literatur

Kristallographische Lehrbücher (Auswahl)

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Auswahl wichtiger Programme: Bei mehr als zwei Autoren ist jeweils nur der Haupt-Autor angegeben. Siehe auch im Internet z.B. unter www.ccp14.ac.uk oder www.chem.gla.ac.uk/louis/software.

  1. LEPAGE, Program for Lattice Symmetry Determination. Y. Le Page, National Research Council of Canada, Ottawa, Canada K1A 0R6 (E-mail: yvon.le page@nrc.ca). Enthalten in [70]

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  2. CRYSTALS: General Crystallographic Software, Including Graphics: D.J. Watkins, Chemical Crystallography Laboratory, 9 Parks Road, Oxford OX1 3PD, U.K. (website: www.xtl.ox.ac.uk)

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  3. ORTEPIII: A Fortran Thermal Ellipsoid Plot Program for Crystal Structures Illustrations: M.N. Burnett, C.K. Johnson, Oak Ridge National Laboratory, Oak Ridge, TN, 37831-6197, USA. (website: www.ornl.gov/ortep/ortep.html)

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  4. MISSYM (ADDSYM, NEWSYMM), A Computer Program for Recognizing and Correcting Space-Group Errors, Y. Le Page s.[56], siehe Acta Crystallogr. A46 Sup. (1990) C454. (In erweiterter Form in [70]).

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  5. DIFABS, Program for Automatic Absorption correction: N. Walker, D. Stuart, siehe [26], mit Modifikationen enthalten in [57] und [66].

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  7. SIMPEL, Program for Structure Solution using Higher Invariants: H. Schenk, University of Amsterdam, Nieuwe Achtergracht 166, 1018 WV Amsterdam, Niederlande (E-mail: hs@crys.chem.uva.nl).

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  8. MULTAN, Program for the Determination of Crystal Structures: P. Main, Dept. of Physics, University of York, York YO1 5DD, U.K. (E-mail: pml@vaxa.york.ac.uk) In verschiedenen Varianten auch in anderen Systemen verbreitet.

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  9. SHELXS, Program for the Solution of Crystal Structures, G.M. Sheldrick, Inst. f. Anorgan.Chemie der Universität Göttingen, Tammannstr. 4, D-37077 Göttingen. (E-mail: gsheldr@shelx.uni-ac.gwdg.de, website: shelx.uni-ac.gwdg.de/SHELX)

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  10. SIR, Integrated Program for Crystal Structure Solution: C. Giacovazzo, Dipartimento Geomineralogico, Campus Universitario, Via Orabona 4, 70125 Bari, Italy. (E-mail: sirware@area.ba.cnr.it, website: www.ic.cnr.it)

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  11. XTAL, The X-tal System: S.R. Hall, Crystallography Centre, The University of Western Australia, Nedlands, 6907 Perth, Australia. (E-mail: xtal@crystal.uwa.edu.au, website: xtal.sourceforge.net)

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  12. DIRDIF, Structure Solution Using Difference Structure Factors: P.T. Beurskens, Lab. vor Kristallografie, Univ. Nijmegen, Toernooiveld 6525 ED Nijmegen, Niederlande. (E-mail: ptb@sci.kun.nl, website: www.xtal.sci.kun.nl)

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  13. SHELXL, Program for the Refinement of Crystal Structures: G.M Sheldrick, siehe [64]

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  14. CRUNCH, Integrated Direct Methods Program: R.A.G. de Graaff, Gorlaeus Lab., Univ. Leiden, Einsteinweg 55, 2300 RA Leiden, Niederlande. (E-mail: rag@chem.leidenuniv.nl, website: www.bfsc.leidenuniv.nl/software/crunch/)

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  15. PLATON, A Multipurpose Crystallographic Tool: A.L. Spek, Lab. voor Kristal-en Structuurchemie, Univ. Utrecht, Utrecht, Niederlande. (E-mail: a.l.spek@chem.uu.nl, website: www.cryst.chem.uu.nl/platon/)

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  16. maXus, Structure Analysis Software: Bruker-Nonius B.V., Delft, Niederlande. (E-mail: info@nonius.nl, website: www.bruker-axs.de)

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  17. PLUTO: W.D.S. Motherwell, Molecular Plotting Program, Cambridge, U.K., enthalten in [70].

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  18. SCHAKAL, A Computer Program for the Graphic Representation of Molecular and Crystallographic Models,: E. Keller, Kristallogr. Inst. d. Univ. Freiburg, Hebelstr. 25, D-79104 Freiburg. (E-mail: kell@uni-freiburg.de, website: www.krist.uni-freiburg.de/ki/Mitarbeiter/Keller)

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  19. SHELXTL, Structure Determination Package: G.M Sheldrick, Bruker-AXS GmbH, Östl. Rheinbrückenstr. 50, D-76187 Karlsruhe. (website: www.bruker-axs.de)

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  20. STRUPLO: R.X. Fischer, Mainz, siehe J.Appl.Cryst. 18 (1985) 258.

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  21. Übersicht über Molecular Modelling-und andere Graphik-Programme siehe auch Intern.Tables [12], B, Kap. 3.3.

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  22. DIRAX, Program for Indexing Twinned Crystals: A.J.M. van Duisenberg, Lab. voor Kristal-en Structuurchemie, Univ. Utrecht, Padualaan 8, 3584 CH Utrecht, Niederlande. (E-mail: duisenberg@chem.uu.nl)

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  23. DIAMOND, Program for Exploration and Drawing of Crystal Structures: Crystal Impact GbR, Immenburgstr. 20, D-53121 Bonn. (E-mail: products@crystalimpact.de, website: www.crystalimpact.com)

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  24. JANA, The Crystallographic Computing System: V. Petřiček, M. Dušek, Inst. of Physics, Academy of Sciences of the Czech Republic, Cukrovarnika 10, 16253 Praha. (E-mail: petricek@fzu.cz, website: www-xray.fzu.cz/jana/jana.html)

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  25. ATOMS: E. Dowty, Shape Software, 521 Hidden Valley Road Kingsport, TN 37663 USA. (E-mail: dowty@shapesoftware.com, website: www.shapesoftware.com)

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  26. WINGX, A Integrated Sytem of Windows Programs for the Solution, Refinement, and Analysis of Single Crystal Diffraction Data: L.J. Farrugia, Dept. of Chemistry, University of Glasgow, U.K. (E-mail: louis@chem.gla.ac.uk, website: www.chem.gla.ac.uk/louis/software/wingx)

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  27. TWINXL, Programm zur Aufbereitung von Datensätzen verzwillingter Kristalle: F. Hahn, W. Massa, Fachbereich Chemie, Philipps-Universität, D-35032 Marburg. (E-mail: massa@chemie.uni-marburg.de, website: www.chemie.uni-marburg.de/~massa)

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  28. SnB, A Direct Methods Procedure for Determining Crystal Structures: C.M. Weeks et al., Hauptman-Woodward Medical Research Institute, Inc., 73 High Street, Buffalo, NY 14203-1196, USA. (E-mail: snb-requests@hwi.buffalo.edu, website: www.hwi.buffalo.edu/SnB/Contact.htm)

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  29. RASMOL, Molecular Visualization Freeware (website: www.umass.edu/microbio/rasmol/)

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  30. XFPA: General Patterson Approach to Structure Solution: F. Pavelcic, Comenius University, Bratislava, Slovak Republic (E-mail: pavelcic@fns.uniba.sk, website: www.fns.uniba.sk/fns/struc fa/chem/kag/xfpa.htm)

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(2007). Literatur. In: Kristallstrukturbestimmung. Vieweg+Teubner. https://doi.org/10.1007/978-3-8351-9093-1_16

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