Information card for entry 7108459

Structure parameters

• Formula: C52 H46 N2 O21 Zn4
• Calculated formula: C42 H24 O19 Zn4
• Title of publication: Control of framework interpenetration for in situ modified hydroxyl functionalised IRMOFs
• Authors of publication: Damien Rankine; Antonio Avellaneda; Matthew R. Hill; Christian J. Doonan; Christopher J. Sumby
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10328
• a: 17.1227 ± 0.0014 Å
• b: 17.1227 ± 0.0014 Å
• c: 17.1227 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5020.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 215
• Hermann-Mauguin space group symbol: P -4 3 m
• Hall space group symbol: P -4 2 3
• Residual factor for all reflections: 0.1875
• Residual factor for significantly intense reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.2494
• Weighted residual factors for all reflections included in the refinement: 0.2882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No