Information card for entry 4319483

Structure parameters

• Formula: C12 H31 Al N4 O17
• Calculated formula: C12 H31 Al N4 O17
• SMILES: [Al]1234(OC(=O)C[C@@](O1)(C(=O)O2)CC(=O)O)OC(=O)C[C@](O3)(C(=O)O4)CC(=O)[O-].O.O.O.[NH4+].[NH4+].[NH4+].[NH4+]
• Title of publication: Synthesis, pH-Dependent Structural Characterization, and Solution Behavior of Aqueous Aluminum and Gallium Citrate Complexes
• Authors of publication: M. Matzapetakis; M. Kourgiantakis; M. Dakanali; C. P. Raptopoulou; A. Terzis; A. Lakatos; T. Kiss; I. Banyai; L. Iordanidis; T. Mavromoustakos; A. Salifoglou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1734 - 1744
• a: 19.347 ± 0.003 Å
• b: 9.857 ± 0.001 Å
• c: 23.412 ± 0.004 Å
• α: 90°
• β: 100.549 ± 0.005°
• γ: 90°
• Cell volume: 4389.3 ± 1.1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.101
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No