Information card for entry 4102163

Structure parameters

• Common name: InPyrene
• Formula: C53 H53 In2 N3 O17
• Calculated formula: C48 H24 In2 O10
• Title of publication: A Guest-Responsive Fluorescent 3D Microporous Metal-Organic Framework Derived from a Long-Lifetime Pyrene Core
• Authors of publication: Kyriakos C. Stylianou; Romain Heck; Samantha Y. Chong; John Bacsa; James T. A. Jones; Yaroslav Z. Khimyak; Darren Bradshaw; Matthew J. Rosseinsky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4119 - 4130
• a: 30.748 ± 0.018 Å
• b: 7.12 ± 0.004 Å
• c: 15.932 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3488 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No