Information card for entry 4309289

Structure parameters

• Formula: C28 H47 Cl3 Li N4 O4 S2 Sc
• Calculated formula: C28 H47 Cl3 Li N4 O4 S2 Sc
• 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: 9.614 ± 0.004 Å
• b: 13.016 ± 0.005 Å
• c: 15.496 ± 0.007 Å
• α: 71.65 ± 0.04°
• β: 86.5 ± 0.04°
• γ: 80.98 ± 0.03°
• Cell volume: 1817.6 ± 1.4 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 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: 0.2853
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.2493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No