Information card for entry 4319530

Structure parameters

• Formula: C30 H22 N2 O4 Ti
• Calculated formula: C30 H23 N2 O4 Ti
• Title of publication: Covalent Titanium Aryldioxy One-, Two-, and Three-Dimensional Networks and Their Examination as Ziegler-Natta Catalysts
• Authors of publication: Joseph M. Tanski; Peter T. Wolczanski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2026 - 2033
• a: 9.866 ± 0.002 Å
• b: 15.962 ± 0.003 Å
• c: 16.223 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2554.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2363
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for all reflections: 0.3071
• Weighted residual factors for significantly intense reflections: 0.18
• Goodness-of-fit parameter for all reflections: 1.167
• Goodness-of-fit parameter for significantly intense reflections: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No