Information card for entry 4107051

Structure parameters

• Common name: MIL-88B(2OH)
• Formula: C48 H38 Fe6 O44
• Calculated formula: C48 H12 Fe6 O44
• Title of publication: How Linker's Modification Controls Swelling Properties of Highly Flexible Iron(III) Dicarboxylates MIL-88
• Authors of publication: Patricia Horcajada; Fabrice Salles; Stefan Wuttke; Thomas Devic; Daniela Heurtaux; Guillaume Maurin; Alexandre Vimont; Marco Daturi; Olivier David; Emmanuel Magnier; Norbert Stock; Yaroslav Filinchuk; Dmitry Popov; Christian Riekel; Gérard Férey; Christian Serre
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 17839 - 17847
• a: 11.091 ± 0.0016 Å
• b: 11.091 ± 0.0016 Å
• c: 19.364 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2062.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1883
• Residual factor for significantly intense reflections: 0.1769
• Weighted residual factors for significantly intense reflections: 0.4176
• Weighted residual factors for all reflections included in the refinement: 0.4234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.834
• Diffraction radiation wavelength: 0.9613 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No