Information card for entry 1573874

Structure parameters

• Common name: Cu(II)-serine
• Formula: C12 H24 Cu2 N4 O12
• Calculated formula: C12 H24 Cu2 N4 O12
• SMILES: [Cu]12(OC(=O)[C@H]([NH2]2)CO)OC([C@H]([NH2]1)CO)=[O][Cu]12(OC(=O)[C@H]([NH2]2)CO)OC([C@H]([NH2]1)CO)=O
• Title of publication: Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination.
• Authors of publication: Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A.
• Journal of publication: IUCrJ
• Year of publication: 2025
• Journal volume: 12
• Journal issue: 2
• a: 5.51 ± 0.002 Å
• b: 8.24 ± 0.0019 Å
• c: 9.72 ± 0.003 Å
• α: 90°
• β: 90.33°
• γ: 90°
• Cell volume: 441.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1357
• Residual factor for significantly intense reflections: 0.1217
• Weighted residual factors for significantly intense reflections: 0.3225
• Weighted residual factors for all reflections included in the refinement: 0.3441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: Electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No