Information card for entry 7708708

Structure parameters

• Formula: C13 H20 Na3 O10 P
• Calculated formula: C13 H20 Na3 O10 P
• Title of publication: Umbelliferyloxymethyl Phosphonate Compounds- weakly binding zinc ionophores with neuroprotective properties
• Authors of publication: Guesne, Sebastien; Connole, Laura; Kim, Stephanie; Motevalli, Majid; Robson, Lesley; Michael-Titus, Adina T; Sullivan, Alice
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 14.7973 ± 0.0008 Å
• b: 6.4554 ± 0.0003 Å
• c: 20.7665 ± 0.0011 Å
• α: 90°
• β: 106.728 ± 0.001°
• γ: 90°
• Cell volume: 1899.72 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0828
• 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