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The DIRDIF scaling procedures; rescaling for structures showing superstructure effects

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 210 Issue 12

Abstract

The DIRDIF program system for solving crystal structures using Patterson procedures and direct methods applied to difference-structure factors, uses a variety of X-ray intensity scaling procedures based on the formulae of Wilson (1942), and when part of the structure is known, Parthasarathy (1966), and Gould, Van den Hark and Beurskens (1975). Applications of these procedures to various heavy atom structures are discussed. A new scaling procedure is presented which is based on the relative frequency of calculated partial structure factors being larger than the observed structure factors on an absolute scale. This procedure is especially useful for structures with superstructure effects.

Published Online: 2010-7-28
Published in Print: 1995-12-1

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Articles in the same Issue

  1. Beta-succinic acid, a crystal of extreme elastic anisotropy
  2. Coordination sequences for lattices
  3. The DIRDIF scaling procedures; rescaling for structures showing superstructure effects
  4. The crystal structure of In7Br9
  5. The crystal structure of EuZnGe and its relation with EuGe2
  6. Synthesis, structure and thermal behavior of benzyltrimethylammonium trihydrogen selenite
  7. On the temperature dependence of the hydrogen bond order in squaric acid: neutron diffraction studies at four different temperatures1
  8. Structure of the 1,7-bis(dimethylamino)heptamethinium dye in crystals of the picrate salt
  9. A monoclinic polymorph of tris(1,3-diphenylpropane-1,3-dionato)-cobalt(III)
  10. Crystal structure of potassium aluminium fluoride phosphate, KAlFPO4
  11. Crystal structure of yttrium carbide iodide (10-4-18), [Y10(C2)2]I18
  12. Crystal structure of caesium yttrium carbide iodide (1-10-4-18), Cs[Y10(C2)2]I18
  13. Crystal structure of dipotassium lithium diarsenidoindate, K2LiInAs2
  14. Crystal structure of 1-(1-adamantyl)-1-methylethoxycarbonyl-L-proline, C19H29NO4
  15. Crystal structure of dichlorobis(triphenylphosphine)nitridotechnetium(V), TcNCl2((C6H5)3P)2
  16. Crystal structure of 5-hydroxymethyl-5-methyl-2-thiophenyl-1,3,2-dioxa-phosphorinane-2-one, C11H15O4PS
  17. Crystal structure of μ-iodo-bis[(3,3′-trimethylenedinitrilo-bis-(2-butanoneoximato)-difluoroborate)copper(II)] perchlorate bis-(methonal), ((C3H6N2(C4H6NO)2BF2)Cu)2I ClO4(CH3OH)2
  18. Crystal structure of 4,10-dimethoxy-6,12-epoxy-6H,12H-dibenzo[b,f][1,5]dioxocin, C16H14O5
  19. Crystal structure of 1,4-bis(phenylamino)-anthracene-9,10-dione, C26H18N2O2
  20. Crystal structure of bis(2,4,6-tri-tert-butylphenylamino)phosphenium tetrachloroaluminate, (((C4H9)3C6H2NH)2P) (AlCl4)
  21. Crystal structure of trans-dibromo-bis(bis(diphenylphosphino)ethane)-osmium(II), OsBr2(((C6H5)2P)2C2H4)2
  22. Crystal structure of scandium cadmium, ScCd7
  23. Liquid Crystals. Vol. 3: Topics in Physical Chemistry.
  24. Complete Minimal Surfaces of Finite Total Curvature. Mathematics and its applications. Vol. 294.
  25. Handbook on the Physics and Chemistry of Rare Earths. Vol. 17: Lanthanides/Actinides: Physics-1.
  26. Crystallographic Computing 6. A Window on Modern Crystallography.
  27. Crystal Structure Analysis for Chemists and Biologists.
https://doi.org/10.1524/zkri.1995.210.12.909

Articles in the same Issue

  1. Beta-succinic acid, a crystal of extreme elastic anisotropy
  2. Coordination sequences for lattices
  3. The DIRDIF scaling procedures; rescaling for structures showing superstructure effects
  4. The crystal structure of In7Br9
  5. The crystal structure of EuZnGe and its relation with EuGe2
  6. Synthesis, structure and thermal behavior of benzyltrimethylammonium trihydrogen selenite
  7. On the temperature dependence of the hydrogen bond order in squaric acid: neutron diffraction studies at four different temperatures1
  8. Structure of the 1,7-bis(dimethylamino)heptamethinium dye in crystals of the picrate salt
  9. A monoclinic polymorph of tris(1,3-diphenylpropane-1,3-dionato)-cobalt(III)
  10. Crystal structure of potassium aluminium fluoride phosphate, KAlFPO4
  11. Crystal structure of yttrium carbide iodide (10-4-18), [Y10(C2)2]I18
  12. Crystal structure of caesium yttrium carbide iodide (1-10-4-18), Cs[Y10(C2)2]I18
  13. Crystal structure of dipotassium lithium diarsenidoindate, K2LiInAs2
  14. Crystal structure of 1-(1-adamantyl)-1-methylethoxycarbonyl-L-proline, C19H29NO4
  15. Crystal structure of dichlorobis(triphenylphosphine)nitridotechnetium(V), TcNCl2((C6H5)3P)2
  16. Crystal structure of 5-hydroxymethyl-5-methyl-2-thiophenyl-1,3,2-dioxa-phosphorinane-2-one, C11H15O4PS
  17. Crystal structure of μ-iodo-bis[(3,3′-trimethylenedinitrilo-bis-(2-butanoneoximato)-difluoroborate)copper(II)] perchlorate bis-(methonal), ((C3H6N2(C4H6NO)2BF2)Cu)2I ClO4(CH3OH)2
  18. Crystal structure of 4,10-dimethoxy-6,12-epoxy-6H,12H-dibenzo[b,f][1,5]dioxocin, C16H14O5
  19. Crystal structure of 1,4-bis(phenylamino)-anthracene-9,10-dione, C26H18N2O2
  20. Crystal structure of bis(2,4,6-tri-tert-butylphenylamino)phosphenium tetrachloroaluminate, (((C4H9)3C6H2NH)2P) (AlCl4)
  21. Crystal structure of trans-dibromo-bis(bis(diphenylphosphino)ethane)-osmium(II), OsBr2(((C6H5)2P)2C2H4)2
  22. Crystal structure of scandium cadmium, ScCd7
  23. Liquid Crystals. Vol. 3: Topics in Physical Chemistry.
  24. Complete Minimal Surfaces of Finite Total Curvature. Mathematics and its applications. Vol. 294.
  25. Handbook on the Physics and Chemistry of Rare Earths. Vol. 17: Lanthanides/Actinides: Physics-1.
  26. Crystallographic Computing 6. A Window on Modern Crystallography.
  27. Crystal Structure Analysis for Chemists and Biologists.
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