Information card for entry 2300363

Structure parameters

• Formula: C8 H14 N2 O8
• Calculated formula: C8 H14 N2 O8
• SMILES: C1[NH2+]CC[NH2+]C1.OC(=O)C(=O)[O-].C(=O)(C(=O)O)[O-]
• 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: 15.8205 ± 0.00011 Å
• b: 5.68202 ± 0.00003 Å
• c: 12.09246 ± 0.00008 Å
• α: 90°
• β: 107.333 ± 0.0008°
• γ: 90°
• Cell volume: 1037.66 ± 0.012 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: 0.016
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for all reflections included in the refinement: 0.01
• Goodness-of-fit parameter for all reflections included in the refinement: 1.452
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No