Information card for entry 7011708

Structure parameters

• Formula: C8 H16 Al K N2 O11
• Calculated formula: C8 H10 Al K N2 O11
• Title of publication: Al(III)-binding properties of iminodiacetic acid, nitrilotriacetic acid and their mixed carboxylic‒phosphonic derivatives
• Authors of publication: M. Kilyén; A. Lakatos; R. Latajka; I. Labádi; A. Salifoglou; C. P. Raptopoulou; H. Kozlowski; T. Kiss
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 3578 - 3586
• a: 15.352 ± 0.008 Å
• b: 10.392 ± 0.006 Å
• c: 18.54 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2958 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P n a b
• Hall space group symbol: -P 2bc 2n
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections: 0.1319
• Weighted residual factors for significantly intense reflections: 0.129
• Goodness-of-fit parameter for all reflections: 1.22
• Goodness-of-fit parameter for significantly intense reflections: 1.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No