Information card for entry 7204168

Structure parameters

• Formula: C9 H9 Fe0.5 O8
• Calculated formula: C9 H9 Fe0.5 O8
• Title of publication: Study of the iron/trimesic acid system for the hydrothermal synthesis of hybrid materials
• Authors of publication: Myriam Riou-Cavellec; Catherine Albinet; Jean-Marc Grenèche; Gérard Férey
• Journal of publication: J. Mater. Chem.
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 3166 - 3171
• a: 5.1572 ± 0.0003 Å
• b: 13.0703 ± 0.0008 Å
• c: 15.2673 ± 0.001 Å
• α: 90°
• β: 97.209 ± 0.002°
• γ: 90°
• Cell volume: 1020.97 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections: 0.1297
• Weighted residual factors for significantly intense reflections: 0.1111
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No