Information card for entry 4322531

Structure parameters

• Formula: C25 H39 N5 Zr
• Calculated formula: C25 H39 N5 Zr
• SMILES: [Zr]1(N(C(=CC(=[N]1c1ccc(cc1)C)C)C)c1ccc(cc1)C)(N(C)C)(N(C)C)N(C)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: 8.669 ± 0.002 Å
• b: 10.385 ± 0.002 Å
• c: 15.874 ± 0.003 Å
• α: 102.19 ± 0.03°
• β: 92.92 ± 0.03°
• γ: 101.28 ± 0.03°
• Cell volume: 1363.5 ± 0.5 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: 0.0969
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections: 0.1527
• Weighted residual factors for significantly intense reflections: 0.1382
• Goodness-of-fit parameter for all reflections: 0.3
• Goodness-of-fit parameter for significantly intense reflections: 0.549
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No