Information card for entry 4321212

Structure parameters

• Common name: Ferric Trencamsam
• Chemical name: Ferric[(2-hydroxybenzoyl-2-aminoethyl)- bis(2,3-dihydroxybenzoyl-2-aminoethyl)amine]
• Formula: C54 H50 Fe2 N8 Na4 O16
• Calculated formula: C76 H70 Fe2 N16 Na4 O24
• 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: 11.3307 ± 0.0006 Å
• b: 12.5479 ± 0.0007 Å
• c: 15.5153 ± 0.0008 Å
• α: 94.513 ± 0.001°
• β: 105.867 ± 0.001°
• γ: 94.332 ± 0.001°
• Cell volume: 2104.4 ± 0.2 ų
• Cell temperature: 137 ± 2 K
• Ambient diffraction temperature: 137 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections: 0.1873
• Weighted residual factors for significantly intense reflections: 0.1707
• Goodness-of-fit parameter for all reflections: 1.175
• Goodness-of-fit parameter for significantly intense reflections: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No