Information card for entry 7031272

Structure parameters

• Formula: C20 H30 Al2 O6
• Calculated formula: C20 H30 Al2 O6
• SMILES: C[Al]1(C)[O](c2c(cccc2OC)OC)[Al](C)(C)[O]1c1c(cccc1OC)OC
• Title of publication: Heterometallic aluminates: alkali metals trapped by an aluminium aryloxide claw.
• Authors of publication: Muñoz, M Teresa; Cuenca, Tomás; Mosquera, Marta E. G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14377 - 14385
• a: 15.3154 ± 0.0012 Å
• b: 9.5003 ± 0.0008 Å
• c: 16.2703 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2367.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No