Information card for entry 7117729

Structure parameters

• Formula: C94.5 H81.75 Eu F9 N23.25 O27 S3
• Calculated formula: C94.5 H81.75 Eu F9 N23.25 O27 S3
• Title of publication: Self-assembly formation of a healable lanthanide luminescent supramolecular metallogel from 2,6-bis(1,2,3-triazol-4-yl)pyridine (btp) ligands
• Authors of publication: Eoin P. McCarney; Joseph P. Byrne; Brendan Twamley; Miguel Martinez-Calvo; Gavin Ryan; Matthias E. Mobius; Thorfinnur Gunnlaugsson
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14123
• a: 15.608 ± 0.0009 Å
• b: 15.7058 ± 0.0009 Å
• c: 22.744 ± 0.0013 Å
• α: 88.97 ± 0.001°
• β: 80.503 ± 0.001°
• γ: 77.211 ± 0.001°
• Cell volume: 5361.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No