Information card for entry 7041346

Structure parameters

• Formula: C18 H22 Al2 O4
• Calculated formula: C18 H22 Al2 O4
• SMILES: C[Al]1(C)[O]=C(c2ccccc2)O[Al](C)(C)[O]=C(c2ccccc2)O1
• Title of publication: Structure investigations of group 13 organometallic carboxylates.
• Authors of publication: Justyniak, Iwona; Prochowicz, Daniel; Tulewicz, Adam; Bury, Wojciech; Goś, Piotr; Lewiński, Janusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 669 - 677
• a: 7.417 ± 0.0003 Å
• b: 8.6964 ± 0.0008 Å
• c: 9.1984 ± 0.0008 Å
• α: 117.254 ± 0.009°
• β: 109.439 ± 0.006°
• γ: 94.798 ± 0.006°
• Cell volume: 477.25 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No