Information card for entry 7051018

Structure parameters

• Common name: ferroceneylaspartic acid
• Formula: C15 H15.668 Fe N O5.334
• Calculated formula: C15 H15 Fe N O5.334
• Title of publication: Solvent effects on the redox properties of ferrocenoyl-dipeptides
• Authors of publication: Baker, Murray V.; Kraatz, Heinz-Bernhard; Wilson Quail, J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 427
• a: 7.455 ± 0.003 Å
• b: 10.0294 ± 0.0013 Å
• c: 10.568 ± 0.005 Å
• α: 90°
• β: 109.2 ± 0.02°
• γ: 90°
• Cell volume: 746.2 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No