Information card for entry 4309288

Structure parameters

• Formula: C28 H47 Cl3 Li N4 O4 S2 Y
• Calculated formula: C28 H47 Cl3 Li N4 O4 S2 Y
• SMILES: [Y]12(Cl)(Cl)(Cl)SC(=S)C(n3[n]1c(cc3C)C)n1[n]2c(cc1C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: First Complexes of Scandium and Yttrium with NNO and NNS Heteroscorpionate Ligands
• Authors of publication: Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis Sánchez-Barba; Emilia Martínez-Caballero; Ana M. Rodríguez; Isabel López-Solera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5336 - 5344
• a: 9.707 ± 0.002 Å
• b: 12.937 ± 0.003 Å
• c: 15.528 ± 0.003 Å
• α: 71.92 ± 0.03°
• β: 86.56 ± 0.03°
• γ: 81.4 ± 0.03°
• Cell volume: 1832.7 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1965
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.2038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No