Journal ArticleDOI
Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds
TLDR
The average lengths of bonds involving the elements H, B, C, N, O, F, Si, P, S, Cl, As, Se, Br, Te, and l in organic compounds are reported in this article.Abstract:
The average lengths of bonds involving the elements H, B, C, N, O, F, Si, P, S, Cl, As, Se, Br, Te, and l in organic compounds are reported.read more
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The chemistry of peroxynitrite: a product from the reaction of nitric oxide with superoxide
TL;DR: The cage mechanism can explain the residual yield of nitrate that appears to be formed even in the presence of high concentrations of all of the scavengers studied to date, since scavengers capture only free HO. and .NO2 and not caged radicals.
Journal ArticleDOI
The development of versions 3 and 4 of the Cambridge Structural Database System
F.H. Allen,John E. Davies,Jean J. Galloy,Owen Johnson,Olga Kennard,Clare F. Macrae,Eleanor M. Mitchell,Gary F. Mitchell,J. Michael Smith,David G. Watson +9 more
TL;DR: The CSD itself acts as a computerized depository for large-volume numerical results for some 30 journals and may conveniently be categorized according to its "dimensionality", as described below and illustrated in Figure 1.
Journal ArticleDOI
The Cambridge Structural Database in retrospect and prospect.
Colin R. Groom,Frank H. Allen +1 more
TL;DR: The origins of the CCDC are traced, the growth of the CSD and its extensive associated software system are described, and its impact and value are summarized as a basis for research in structural chemistry, materials science and the life sciences, including drug discovery and drug development.
Journal ArticleDOI
Retrieval of Crystallographically-Derived Molecular Geometry Information
Ian J. Bruno,Jason C. Cole,Magnus Kessler,Jie Luo,W. D. Sam Motherwell,Lucy H. Purkis,Barry Smith,Robin Taylor,Richard I. Cooper,Stephanie E. Harris,A. Guy Orpen +10 more
TL;DR: Validation experiments indicate that, with rare exceptions, search results afford precise and unbiased estimates of molecular geometrical preferences.
Journal ArticleDOI
Covalent versus Dative Bonds to Main Group Metals, a Useful Distinction
TL;DR: The difference between the covalent and the dative bond becomes apparent only after the orbital coefficients have been analyzed as discussed by the authors, which may explain why many structural chemists seem reluctant to distinguish between the two types of bonds.