Information card for entry 4322536

Structure parameters

• Formula: C26 H29 Cl3 N2 Ti
• Calculated formula: C26 H29 Cl3 N2 Ti
• SMILES: [Ti]1(Cl)(Cl)(Cl)[N](=C(C)C=C(N1c1ccc(cc1)C)C)c1ccc(cc1)C.c1cccc(c1)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: 7.2859 ± 0.0015 Å
• b: 13.154 ± 0.003 Å
• c: 15.253 ± 0.003 Å
• α: 103.25 ± 0.03°
• β: 99.96 ± 0.03°
• γ: 94.58 ± 0.03°
• Cell volume: 1390.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1284
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections: 0.2045
• Weighted residual factors for significantly intense reflections: 0.1898
• Goodness-of-fit parameter for all reflections: 0.849
• Goodness-of-fit parameter for significantly intense reflections: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No