International
Tables for Crystallography Volume C Mathematical, physical and chemical tables Edited by E. Prince © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. C. ch. 9.6, p. 812
Section 9.6.2.1. Selection of crystallographic data |
All results given in Table 9.6.3.3 are based on X-ray and neutron diffraction results retrieved from the September 1985 version of the CSD. Neutron diffraction data only were used to derive mean bond lengths involving hydrogen atoms. This version of the CSD contained results for 49 854 single-crystal diffraction studies of organo-carbon compounds; 9802 of these satisfied the acceptance criteria listed below and were used in the averaging procedures:
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The structures used in Table 9.6.3.3 do not include compounds whose structure precludes them from the CSD (i.e. not containing `organic' carbon). In practice, structures including at least one C—H bond are taken to contain `organic' carbon. Thus, the entry for Cr—CO distances has a contribution from [NEt4][Cr(μ-H)(CO)10] but not from K[Cr(μ-H)(CO)10] or [Cr(CO)6].