Information card for entry 4322530

Structure parameters

• Formula: C25 H39 N5 Ti
• Calculated formula: C25 H39 N5 Ti
• SMILES: [Ti]1(N(C)C)(N(C)C)(N(C)C)[N](=C(C)C=C(N1c1ccc(cc1)C)C)c1ccc(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: 8.6972 ± 0.0001 Å
• b: 10.5162 ± 0.0001 Å
• c: 15.5363 ± 0.0001 Å
• α: 102.53°
• β: 93.59°
• γ: 102.519 ± 0.001°
• Cell volume: 1345.16 ± 0.02 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections: 0.1534
• Weighted residual factors for significantly intense reflections: 0.146
• Goodness-of-fit parameter for all reflections: 1.161
• Goodness-of-fit parameter for significantly intense reflections: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No