Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?

作者：Tan Seng Lim; Ng Seik Weng^*

来源：JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2014, 47(4): 1443-1444.

DOI：10.1107/S1600576714011297

The crystal structures of C7H8FN3, C20H25Br, [Cu(H2O)(2)(C6H12N4)(C7H3N2O6)(2)]center dot 2H(2)O, [SnCl(H2O)(C6H5)(3)(C10H8N2)](2) and [Pb(NO3)(2)(C3H9N3S)] refined on numerically absorption-corrected reflections to low R values although the dimensions of the crystals exceeded the diameter of the X-ray beam collimator. The R values for the organic and copper compounds were not significantly different when smaller specimens cut from the large crystals were used. For the tin complex, a large peak persisted in the difference map for all sizes, and for the lead complex, the difference Fourier map was more diffuse the smaller the specimen.

• 出版日期2014-8