Figure 2.1.7.1

Shmueli, U.; Wilson, A. J. C.

doi:10.1107/97809553602060000554

International
Tables for
Crystallography
Volume B
Reciprocal space
Edited by U. Shmueli

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International Tables for Crystallography (2006). Vol. B. ch. 2.1, p. 199 | 1 | 2 |

Figure 2.1.7.1

U. Shmueli^a ^* and A. J. C. Wilson^b ^‡

^a School of Chemistry, Tel Aviv University, Tel Aviv 69 978, Israel, and ^bSt John's College, Cambridge, England
Correspondence e-mail: ushmueli@post.tau.ac.il

Figure 2.1.7.1

Atomic heterogeneity and intensity statistics. The histogram appearing in (a) and (b) was constructed from [|E|] values which were recalculated from atomic parameters published for the centrosymmetric structure of C₆H₁₈Cl₂N₄O₄Pt (Faggiani et al., 1980). The space group of the crystal is $[P\bar{1}]$ , [Z=2] , i.e. all the atoms are located in general positions. (a) A comparison of the recalculated distribution of [|E|] with the ideal centric [equation (2.1.5.11)] and acentric [equation (2.1.5.8)] p.d.f.'s, denoted by $[\bar{1}]$ and 1, respectively. (b) The same recalculated histogram along with the centric correction-factor p.d.f. [equation (2.1.7.5)], truncated after two, three, four and five terms (dashed lines), and with that accurately computed for the correct space-group Fourier p.d.f. [equations (2.1.8.5) and (2.1.8.22)] (solid line).