Sentence examples for basis of crystallographic data from inspiring English sources

On the basis of crystallographic data, compound 1 contains a monomeric anion with distorted octahedral geometry.

On the basis of crystallographic data, we suggest that the stereospecificity is related to the active site residue Asp170.

On the basis of crystallographic data, we carried out a theoretical investigation based on state-of-the-art density functional approaches.

On the basis of crystallographic data, compound 1 contains a Gd III) metal center that is coordinated to seven oxygen atoms of two tridentate and one monodentate H2pydc ligands and two coordinated water molecules.

See Table 1 for a summary of crystallographic data statistics.

However, in the absence of crystallographic data, these interpretations remain speculative.

Details of crystallographic data are given in Table 1.

Table of crystallographic data collection and structure refinement statistics (with PDB entries), Ks titration curve fittings, and other structural figures.

These findings are rationalized on the basis of the crystallographic data of Prokoshkin et al. 2004 [68] and the theory of Ball and James [25].

The bond-valence parameters d0 of homonuclear O H⋯O hydrogen bonds in hydrated borates are investigated on the basis of the crystallographic data available in the Inorganic Crystal Structure Database (2004 release).

In the solid-state polymerizations, some electron-accepting substituted p-quinodimethanes with same ester substituents polymerized topochemically in vacuo, and the strict requirements of topochemical polymerization for substituted p-quinodimethane and p-quinone methide monomers have been determined on the basis of their crystallographic data.