Information card for entry 4320083

Structure parameters

• Formula: C61 H87 N3 O4 Ti
• Calculated formula: C62 H87 N3 O4 Ti
• Title of publication: Coordination Chemistry of Amine Bis(phenolate) Titanium Complexes: Tuning Complex Type and Structure by Ligand Modification
• Authors of publication: Edit Y. Tshuva; Israel Goldberg; Moshe Kol; Zeev Goldschmidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4263 - 4270
• a: 14.709 ± 0.0004 Å
• b: 26.244 ± 0.0006 Å
• c: 15.164 ± 0.0005 Å
• α: 90°
• β: 97.915 ± 0.0009°
• γ: 90°
• Cell volume: 5797.9 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.1731
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No