Information card for entry 1540715

Structure parameters

• Chemical name: Sr-NDI
• Formula: C44 H44 N4 O23 Sr2
• Calculated formula: C44 H44 N4 O23 Sr2
• Title of publication: Photochromic metal‒organic frameworks for inkless and erasable printing
• Authors of publication: Garai, Bikash; Mallick, Arijit; Banerjee, Rahul
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 2195
• a: 28.4784 ± 0.0007 Å
• b: 28.4784 ± 0.0007 Å
• c: 13.6334 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11057 ± 0.5 ų
• Cell temperature: 200.01 ± 0.1 K
• Ambient diffraction temperature: 200.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.181
• Residual factor for significantly intense reflections: 0.1393
• Weighted residual factors for significantly intense reflections: 0.3624
• Weighted residual factors for all reflections included in the refinement: 0.3919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No