Information card for entry 4321214

Structure parameters

• Common name: Aluminum Trencam(3M)sam
• Chemical name: Aluminum(III)[(2-hydroxy-3-methoxybenzoyl-2-aminoethyl)- bis(2,3-dihydroxybenzoyl-2-aminoethyl)amine]
• Formula: C28 H27 Al K2 N4 O9
• Calculated formula: C36.39 H42.24 Al K2 N6.53 O13.89
• Title of publication: Catecholate/Salicylate Heteropodands: Demonstration of a Catecholate to Salicylate Coordination Change1
• Authors of publication: Seth M. Cohen; Kenneth N. Raymond
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3624 - 3631
• a: 34.244 ± 0.002 Å
• b: 11.6206 ± 0.0006 Å
• c: 21.989 ± 0.0012 Å
• α: 90°
• β: 101.478 ± 0.001°
• γ: 90°
• Cell volume: 8575.2 ± 0.8 ų
• Cell temperature: 136 ± 2 K
• Ambient diffraction temperature: 136 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections: 0.182
• Weighted residual factors for significantly intense reflections: 0.16
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No