Information card for entry 1518372

Structure parameters

• Common name: Mg-NDI
• Chemical name: Mg-NDI
• Formula: C69 H35 Mg4 N7 O30
• Calculated formula: C69 H35 Mg4 N7 O30
• Title of publication: Solid state organic amine detection in a photochromic porous metal organic framework
• Authors of publication: Mallick, Arijit; Garai, Bikash; Addicoat, Matthew A.; Petkov, Petko St.; Heine, Thomas; Banerjee, Rahul
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 1420
• a: 34.3413 ± 0.0018 Å
• b: 10.0447 ± 0.0007 Å
• c: 17.7382 ± 0.0017 Å
• α: 90°
• β: 96.234 ± 0.006°
• γ: 90°
• Cell volume: 6082.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1637
• Residual factor for significantly intense reflections: 0.1057
• Weighted residual factors for significantly intense reflections: 0.2679
• Weighted residual factors for all reflections included in the refinement: 0.2975
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No