Information card for entry 4312936

Structure parameters

• Formula: C16 H34 Cl4 O5 Ti2
• Calculated formula: C16 H34 Cl4 O5 Ti2
• SMILES: [Ti]123([Ti](Cl)([Cl]1)([O]1CCCC1)([O]1CCCC1)([O]2CC)[O]3CC)(Cl)(Cl)[O]1CCCC1
• Title of publication: The First Structurally Characterized Nonorganometallic Titanium(III) Alkoxo-Bridged Dinuclear Complexes
• Authors of publication: Józef Utko; Szymon Przybylak; Lucjan B. Jerzykiewicz; Krzysztof Mierzwicki; Zdzisław Latajka; Piotr Sobota
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 267 - 269
• a: 8.116 ± 0.002 Å
• b: 17.305 ± 0.003 Å
• c: 16.951 ± 0.003 Å
• α: 90°
• β: 98.72 ± 0.04°
• γ: 90°
• Cell volume: 2353.2 ± 0.9 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.0561
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No