Information card for entry 2300364

Structure parameters

• Formula: C8 H14 N2 O8
• Calculated formula: C8 H14 N2 O8
• SMILES: OC(=O)C(=O)[O-].OC(=O)C(=O)[O-].[NH2+]1CC[NH2+]CC1
• Title of publication: Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem
• Authors of publication: Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2011
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 763 - 771
• a: 15.82035 ± 0.00012 Å
• b: 5.68088 ± 0.00003 Å
• c: 12.09343 ± 0.00008 Å
• α: 90°
• β: 107.332 ± 0.0008°
• γ: 90°
• Cell volume: 1037.53 ± 0.013 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for all reflections included in the refinement: 0.013
• Goodness-of-fit parameter for all reflections included in the refinement: 2.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No