Information card for entry 1559297

Structure parameters

• Formula: C84 H122 As2 Fe2 N4
• Calculated formula: C84 H122 As2 Fe2 N4
• Title of publication: A Soft Molecular 2Fe 2As Precursor Approach to Nanostructured FeAs For Efficient Electrocatalytic Water Oxidation
• Authors of publication: Beltrán-Suito, Rodrigo; Menezes, Prashanth W.; Dau, Holger; Zebger, Ingo; Laun, Konstantin; Zaharieva, Ivelina; Driess, Matthias; mebs, stephan; Hausmann, Jan Niklas; Forstner, Viktoria; Schmidt, Johannes
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 13.4664 ± 0.0002 Å
• b: 14.7987 ± 0.0002 Å
• c: 19.627 ± 0.0003 Å
• α: 90°
• β: 91.27 ± 0.001°
• γ: 90°
• Cell volume: 3910.41 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No