Information card for entry 4317544

Structure parameters

• Formula: C44 H92 Al2 Cl4 O12 P2
• Calculated formula: C44 H82 Al2 Cl4 O12 P2
• SMILES: O1[Al]([OH]CCCC)([OH]CCCC)([OH]CCCC)([O]=P(O[Al]([O]=P1c1ccccc1)([OH]CCCC)([OH]CCCC)([OH]CCCC)[OH]CCCC)c1ccccc1)[OH]CCCC.[Cl-].[Cl-].[Cl-].[Cl-]
• Title of publication: Synthesis and Characterization of a Novel Cyclic Aluminophosphinate: Structure and Solid-State NMR Study
• Authors of publication: Thierry Azaïs; Laure Bonhomme-Coury; Jacqueline Vaissermann; Philippe Bertani; Jérôme Hirschinger; Jocelyne Maquet; Christian Bonhomme
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 981 - 988
• a: 11.83 ± 0.007 Å
• b: 14.216 ± 0.006 Å
• c: 17.79 ± 0.006 Å
• α: 90°
• β: 91.25 ± 0.04°
• γ: 90°
• Cell volume: 2991 ± 2 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.1146
• Goodness-of-fit parameter for significantly intense reflections: 0.9693
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No