Information card for entry 7058410

Structure parameters

• Formula: C25 H29 Fe N3 O6
• Calculated formula: C25 H29 Fe N3 O6
• Title of publication: Syntheses and NMR and XRD studies of carbohydrate‒ferrocene conjugates
• Authors of publication: Peigneguy, Fanny; Allain, Magali; Cougnon, Charles; Frère, Pierre; Siegler, Benjamin; Bressy, Christine; Gohier, Frédéric
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9706
• a: 7.2219 ± 0.0002 Å
• b: 8.0816 ± 0.0002 Å
• c: 39.3464 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2296.43 ± 0.1 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No