Information card for entry 4073280

Structure parameters

• Formula: C21.5 H27.5 Cl Ti
• Calculated formula: C21.5 H27.5 Cl Ti
• Title of publication: Ring-Opening Reactions of Tetrahydrofuran versus Alkyne Complexation by Group 4 Metallocene Complexes Leading to General Consequences for Synthesis and Reactions of Metallocene Complexes
• Authors of publication: Beweries, Torsten; Jäger-Fiedler, Ulrike; Bach, Marc A.; Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 3000
• a: 14.435 ± 0.003 Å
• b: 17.642 ± 0.004 Å
• c: 14.496 ± 0.003 Å
• α: 90°
• β: 103.01 ± 0.03°
• γ: 90°
• Cell volume: 3596.8 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No