Information card for entry 4308782

Structure parameters

• Formula: C28 H32 Fe2 N6 O10
• Calculated formula: C28 H32 Fe2 N6 O10
• SMILES: [Fe]1234([OH][Fe]567(Oc8ccccc8C[NH]6[C@@H](Cc6[n]7c[nH]c6)C(=O)O5)[O]=C(O1)C)Oc1ccccc1C[NH]4[C@@H](Cc1[n]3c[nH]c1)C(=O)O2.O
• Title of publication: Structural Characterization of an Enantiopure Hydroxo-Bridged Binuclear Iron(III) Complex with Empty One-Dimensional Helical Channels
• Authors of publication: Md. Akhtarul Alam; Munirathinum Nethaji; Manabendra Ray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1302 - 1308
• a: 13.16 ± 0.007 Å
• b: 13.16 ± 0.007 Å
• c: 36.56 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5483 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No