Information card for entry 4307621

Structure parameters

• Formula: C78 H118 Li10 N26 O8
• Calculated formula: C78 H118 Li10 N26 O8
• SMILES: [Li]123[N]#CC4n5[n]([Li](N=C(N(C)C)C6n7[n]([Li]89[O]%10%11[Li]%12([O]18[Li]1([n]89[n]9(c(cc8C)C)[Li]8%10[N]#CC%10n%13[n]([Li](N=C(N(C)C)C%14n%15[n]([Li]%16%17[O]21[Li]9([O]8%16[Li]%11([n]1%17[n]3%12c(cc1C)C)[O]1CCCC1)[n]1n%14c(cc1C)C)c(cc%15C)C)([n]1n%10c(cc1C)C)[O]1CCCC1)c(cc%13C)C)[O]1CCCC1)[n]1n6c(cc1C)C)c(cc7C)C)([n]1n4c(cc1C)C)[O]1CCCC1)c(cc5C)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: 13.739 ± 0.003 Å
• b: 18.195 ± 0.008 Å
• c: 22.337 ± 0.009 Å
• α: 90°
• β: 95.14 ± 0.03°
• γ: 90°
• Cell volume: 5561 ± 4 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.4733
• Residual factor for significantly intense reflections: 0.1401
• Weighted residual factors for significantly intense reflections: 0.3053
• Weighted residual factors for all reflections included in the refinement: 0.37
• Goodness-of-fit parameter for all reflections included in the refinement: 0.739
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No