Information card for entry 7709210

Structure parameters

• Formula: C17 H14 N O3 Se
• Calculated formula: C17 H13 N O3 Se
• Title of publication: Efficient Chemodosimeter for Hg(II) Via Diselenide Oxidation
• Authors of publication: Deshmukh, Pratiksha P.; Malankar, Gauri S.; Arunima, S.; Navalkar, Ambuja; Maji, Samir Kumar; Murale, Dhiraj P.; Saravanan, R.; Manjare, Sudesh T.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.7511 ± 0.0005 Å
• b: 23.9217 ± 0.0013 Å
• c: 8.4244 ± 0.0006 Å
• α: 90°
• β: 110.099 ± 0.008°
• γ: 90°
• Cell volume: 1466.92 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1093
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No