Information card for entry 7106858

Structure parameters

• Formula: C35 H48 Fe2 N14 O6
• Calculated formula: C35 H48 Fe2 N14 O6
• Title of publication: Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State
• Authors of publication: Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10428
• a: 16.3489 ± 0.0003 Å
• b: 18.9892 ± 0.0004 Å
• c: 26.4822 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8221.5 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No