Information card for entry 7031273

Structure parameters

• Formula: C36 H48 Al2 Na2 O12
• Calculated formula: C36 H48 Al2 Na2 O12
• SMILES: [Na]12345[O]([Al]([O]61c1c([O]3C)cccc1[O](C)[Na]1376[O]([Al]([O]41c1c([O]7C)cccc1[O]5C)(C)C)c1c([O]3C)cccc1OC)(C)C)c1c([O]2C)cccc1OC
• 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: 13.7778 ± 0.0016 Å
• b: 14.062 ± 0.003 Å
• c: 10.594 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2052.5 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No