Information card for entry 7041512

Structure parameters

• Formula: C84 H122 Al2 O12
• Calculated formula: C84 H122 Al2 O12
• Title of publication: Structural and magnetic properties of semiquinonate based Al(iii) and Ga(iii) complexes.
• Authors of publication: Das, Chinmoy; Shukla, Pragya; Sorace, Lorenzo; Shanmugam, Maheswaran
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1439 - 1448
• a: 13.8998 ± 0.0009 Å
• b: 25.4983 ± 0.0016 Å
• c: 24.0102 ± 0.0015 Å
• α: 90°
• β: 101.963 ± 0.001°
• γ: 90°
• Cell volume: 8324.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1092
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.2168
• Weighted residual factors for all reflections included in the refinement: 0.2418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No