Information card for entry 4307618

Structure parameters

• Formula: C22 H37 Li N6 O
• Calculated formula: C22 H37 Li N6 O
• SMILES: [Li]12([O]3CCCC3)N(C(=N\C(C)C)/C(n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)C(C)C
• Title of publication: Lithium, Titanium, and Zirconium Complexes with Novel Amidinate Scorpionate Ligands
• Authors of publication: Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis F. Sánchez-Barba; Isabel López-Solera; Ana M. Rodríguez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1760 - 1770
• a: 10.386 ± 0.005 Å
• b: 10.996 ± 0.005 Å
• c: 13.197 ± 0.006 Å
• α: 65.725 ± 0.009°
• β: 85.059 ± 0.008°
• γ: 63.99 ± 0.008°
• Cell volume: 1226.6 ± 1 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.1206
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1975
• Weighted residual factors for all reflections included in the refinement: 0.2365
• 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: Yes
• Has Fobs: No