Information card for entry 7031274

Structure parameters

• Formula: C22 H32 Al K O7
• Calculated formula: C18 H24 Al K O6
• SMILES: [K+].[Al](Oc1c(OC)cccc1OC)(Oc1c(OC)cccc1OC)(C)C
• 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: 12.4801 ± 0.0013 Å
• b: 7.311 ± 0.002 Å
• c: 25.671 ± 0.007 Å
• α: 90°
• β: 92.86 ± 0.017°
• γ: 90°
• Cell volume: 2339.4 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1083
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.2144
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No