Information card for entry 4322283

Structure parameters

• Common name: Ferric TRENIAM
• Chemical name: Ferric(III)[tris(2-hydroxyisophthalylmethylamide)-2-aminoethyl]amine
• Formula: C35.5 H41 Fe N7 O10
• Calculated formula: C35.5 H41 Fe N7 O10
• Title of publication: A Novel Salicylate-Based Macrobicycle with a "Split Personality"
• Authors of publication: Seth M. Cohen; Stéphane Petoud; Kenneth N. Raymond
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4522 - 4529
• a: 12.0203 ± 0.0004 Å
• b: 12.6996 ± 0.0004 Å
• c: 24.6435 ± 0.0008 Å
• α: 83.146 ± 0.001°
• β: 88.531 ± 0.001°
• γ: 85.282 ± 0.001°
• Cell volume: 3721.9 ± 0.2 ų
• Cell temperature: 171 ± 2 K
• Ambient diffraction temperature: 171 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections: 0.1487
• Weighted residual factors for significantly intense reflections: 0.1264
• Goodness-of-fit parameter for all reflections: 1.156
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No