Cp′2TiS5O and Cp′2TiOS5—Isomeric Titanocene Complexes with Two Novel S-O Chelate Ligands (Cp′ = η5-CH3C5H4)

✍ Scribed by Prof. Dr. Ralf Steudel; Dipl.-Chem. Andreas Prenzel; Prof. Dr. Joachim Pickardt

• Publisher: John Wiley and Sons
• Year: 1991
• Tongue: English
• Weight: 371 KB
• Volume: 30
• Category: Article
• ISSN: 0044-8249
• DOI: 10.1002/anie.199105501

✦ Synopsis

varied iteratively in the refinement until an equivalent isotropic displacement factor comparable with that at the other positions resulted. For each ring position in the disorder model so obtained the C:P ratio was fixed, an anisotropic displacement factor refined together with the atomic positions, and-corresponding to the C fraction-an H atom was introduced "riding" at a calculated position with a common isotropic displacement factor (I/ = 0.09 A'). The refinement converged well and led (considering the positional disorder) to reasonable displacement factors. Using the weights w = I/02(Fo) and after introduction of an extinction correction the residuals R = 0.054, wR = 0.037 resulted for 920 observed reflections with Fo > 4a. Further details of the crystal structure investigation are available