Information card for entry 4001668

Structure parameters

• Formula: C42 H24 Fe3 O16
• Calculated formula: C42 H24 Fe3 O16
• Title of publication: How Interpenetration Ensures Rigidity and Permanent Porosity in a Highly Flexible Hybrid Solid
• Authors of publication: Dan-Hardi, Meenakshi; Chevreau, Hubert; Devic, Thomas; Horcajada, Patricia; Maurin, Guillaume; Férey, Gérard; Popov, Dmitry; Riekel, Christian; Wuttke, Stefan; Lavalley, Jean-Claude; Vimont, Alexandre; Boudewijns, Tom; de Vos, Dirk; Serre, Christian
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 13
• Pages of publication: 2486
• a: 21.8 ± 0.003 Å
• b: 21.8 ± 0.003 Å
• c: 35.407 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16827 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.2495
• Weighted residual factors for all reflections included in the refinement: 0.2663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.9613 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No