Information card for entry 1557338

Structure parameters

• Formula: C31 H53 B Eu N5 O17
• Calculated formula: C31 H49 B Eu N5 O15
• Title of publication: Time-resolved luminescence detection of peroxynitrite using a reactivity-based lanthanide probe
• Authors of publication: Breen, Colum; Pal, Robert; Elsegood, Mark R. J.; Teat, Simon J.; Iza, Felipe; Wende, Kristian; Buckley, Benjamin R.; Butler, Stephen J.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 3164 - 3170
• a: 13.2696 ± 0.0005 Å
• b: 15.8873 ± 0.0006 Å
• c: 18.2435 ± 0.0007 Å
• α: 90°
• β: 93.3 ± 0.002°
• γ: 90°
• Cell volume: 3839.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No