Information card for entry 4077348

Structure parameters

• Formula: C70 H34 B2 F30 O Ti2
• Calculated formula: C70 H34 B2 F30 O Ti2
• Title of publication: Synthesis and X-ray Crystal Structure Determination of New Zwitterionic Complexes of Titanocene
• Authors of publication: Burlakov, V. V.; Arndt, P.; Baumann, W.; Spannenberg, A.; Rosenthal, U.; Letov, A. V.; Lyssenko, K. A.; Korlyukov, A. A.; Strunkina, L. I.; Minacheva, M. Kh.; Shur, V. B.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 19
• Pages of publication: 4072
• a: 11.198 ± 0.003 Å
• b: 45.383 ± 0.013 Å
• c: 24.336 ± 0.007 Å
• α: 90°
• β: 91.4 ± 0.03°
• γ: 90°
• Cell volume: 12364 ± 6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1565
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No