Information card for entry 7016134

Structure parameters

• Formula: C58 H46 N6 O8 Sc2
• Calculated formula: C58 H46 N6 O8 Sc2
• SMILES: [Sc]123456([O](c7cccc8ccc[n]1c78)[Sc]17([O]2c2cccc8ccc[n]6c28)([O]3c2cccc3ccc[n]4c23)(Oc2cccc3ccc[n]1c23)Oc1cccc2ccc[n]7c12)Oc1cccc2ccc[n]5c12.O(C)CCOC
• 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: 11.1114 ± 0.0002 Å
• b: 22.8906 ± 0.0005 Å
• c: 19.7559 ± 0.0004 Å
• α: 90°
• β: 105.054 ± 0.001°
• γ: 90°
• Cell volume: 4852.4 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No