Information card for entry 4077350

Structure parameters

• Formula: C34.5 H19 B F15 O Ti
• Calculated formula: C34.5 H19 B F15 O Ti
• 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: 9.096 ± 0.002 Å
• b: 13.153 ± 0.003 Å
• c: 15.561 ± 0.003 Å
• α: 67.83 ± 0.03°
• β: 77.16 ± 0.03°
• γ: 71.89 ± 0.03°
• Cell volume: 1627 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No