Information card for entry 4321213

Structure parameters

• Common name: Triprotonated Aluminum Trencamsam
• Chemical name: Aluminum(III)[(2-hydroxy-benzoyl-2-aminoethyl)- bis(2,3-dihydroxybenzoyl-2-aminoethyl)amine]
• Formula: C27 H30 Al Br Cl N4 O8
• Calculated formula: C27 H32 Al Br0.533 Cl0.467 N4 O12.5
• 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: 11.5475 ± 0.0004 Å
• b: 12.1681 ± 0.0004 Å
• c: 12.5094 ± 0.0004 Å
• α: 109.142 ± 0.001°
• β: 104.327 ± 0.001°
• γ: 103.636 ± 0.001°
• Cell volume: 1509.38 ± 0.09 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.1208
• Weighted residual factors for significantly intense reflections: 0.1079
• Goodness-of-fit parameter for all reflections: 1.167
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No