Information card for entry 2300629

Structure parameters

• Formula: C2 H10 N2 O4 Se
• Calculated formula: C2 H10 N2 O4 Se
• SMILES: [Se](=O)(=O)([O-])[O-].[NH3+]CC[NH3+]
• Title of publication: Double cone of eigendirections in optically active ethylenediammonium selenate crystals
• Authors of publication: Martin, Alexander T.; Nichols, Shane M.; Li, Sichao; Tan, Melissa; Kahr, Bart
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2017
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 1117 - 1124
• a: 6.1352 ± 0.0004 Å
• b: 6.1352 ± 0.0004 Å
• c: 18.1726 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 684.03 ± 0.08 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes