Information card for entry 7120112

Structure parameters

• Formula: C50 H30 Cd N4 O10
• Calculated formula: C50 H30 Cd N4 O10
• Title of publication: A resilient and luminescent stimuli-responsive hydrogel from a heterotopic 1,8-naphthalimide-derived ligand
• Authors of publication: Hawes, Chris S.; Lynes, Amy D.; Byrne, Kevin; Schmitt, Wolfgang; Ryan, Gavin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 4.6567 ± 0.0002 Å
• b: 15.5275 ± 0.0005 Å
• c: 17.3063 ± 0.0006 Å
• α: 66.486 ± 0.001°
• β: 85.011 ± 0.002°
• γ: 82.452 ± 0.002°
• Cell volume: 1136.69 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No