Where to get Standard Values

• Your refinement program

  • Steal from the supplied library

• Cambridge Structure Database

  • The best source of values, but…
    • It is hard to use
    • It costs money

• Spectroscopic Stereochemistry

  • Good source of instantaneous values
  • However, crystal structure is an average structure.
  • How to get proper sigmas?

• Find a paper

  • but… you must inflate the sigma’s

• Look in books

  • Handbook of Chemistry and Physics
  • International Tables of Crystallography
  • Nature of the Chemical Bond
  • -Pretty much an act of desperation-

• Look in the PDB

  • -- Pretty much an act of madness --

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