Information card for entry 4308780

Structure parameters

• Formula: C28 H29 Fe2 N6 O13
• Calculated formula: C28 H29 Fe2 N6 O13
• 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: 13.164 ± 0.003 Å
• b: 13.164 ± 0.003 Å
• c: 36.305 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5448 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0488
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No