Information card for entry 7016133

Structure parameters

• Formula: C29 H26 N6 O4 Sc
• Calculated formula: C29 H26 N6 O4 Sc
• Title of publication: Anhydrous mono- and dinuclear tris(quinolinolate) complexes of scandium: the missing structures of rare earth metal 8-quinolinolates.
• Authors of publication: Katkova, Marina A.; Balashova, Tatyana V.; Pushkarev, Anatoly P.; Ilyin, Igor Yu; Fukin, Georgy K.; Baranov, Evgeny V.; Ketkov, Sergey Yu; Bochkarev, Mikhail N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 30
• Pages of publication: 7713 - 7717
• a: 11.3039 ± 0.0009 Å
• b: 13.1459 ± 0.001 Å
• c: 17.5455 ± 0.0013 Å
• α: 90°
• β: 101.404 ± 0.002°
• γ: 90°
• Cell volume: 2555.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No