Information card for entry 4107052

Structure parameters

• Common name: MIL-88B(4CH3)
• Formula: C72 H82 Fe6 O32
• Calculated formula: C72 H72 Fe6 O32
• 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: 14.741 ± 0.002 Å
• b: 14.741 ± 0.002 Å
• c: 17.135 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3224.5 ± 0.8 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: 0.2805
• Residual factor for significantly intense reflections: 0.1924
• Weighted residual factors for significantly intense reflections: 0.4445
• Weighted residual factors for all reflections included in the refinement: 0.4757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.9613 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No