Information card for entry 7058266

Structure parameters

• Formula: C24 H30 O2 Ti
• Calculated formula: C24 H30 O2 Ti
• Title of publication: Di-tert-butylcatecholate derivatives of titanocene
• Authors of publication: Petrov, Pavel A.; Sukhikh, Taisiya S.; Nadolinny, Vladimir A.; Bogomyakov, Artem S.; Laricheva, Yuliya A.; Piskunov, Alexandr V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6636
• a: 14.9844 ± 0.0006 Å
• b: 17.5943 ± 0.0007 Å
• c: 7.8829 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2078.25 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No