Information card for entry 4322533

Structure parameters

• Formula: C24 H28 Cl2 N2 O2 Ti
• Calculated formula: C24 H28 Cl2 N2 O2 Ti
• SMILES: [Ti]12(Cl)(Cl)(OC(C)=CC(C)=[N]1c1ccc(C)cc1)OC(=CC(C)=[N]2c1ccc(C)cc1)C
• Title of publication: Five- and Six-Coordinate Group 4 Compounds Stabilized by β-Ketiminate and Diketiminate Ligands: Syntheses and Comparisons between Solid-State and Solution Structures
• Authors of publication: Lena Kakaliou; Scanlon; Baixin Qian; Sung W. Baek; Milton R. Smith; Douglas H. Motry
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5964 - 5977
• a: 11.5548 ± 0.0002 Å
• b: 20.0716 ± 0.0003 Å
• c: 21.5875 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5006.64 ± 0.12 ų
• Cell temperature: 132 ± 2 K
• Ambient diffraction temperature: 132 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.0958
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for significantly intense reflections: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No