Information card for entry 4324819

Structure parameters

• Formula: C3 H6 N2 O3
• Calculated formula: C3 H6 N2 O3
• Title of publication: N-H Activation in N-Nitropropionamide: Coordination Chemistry of a Primary Nitroamide
• Authors of publication: D. Scott Bohle; Zhijie Chua
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3135 - 3140
• a: 4.897 ± 0.002 Å
• b: 5.952 ± 0.003 Å
• c: 8.852 ± 0.004 Å
• α: 90°
• β: 100.975 ± 0.005°
• γ: 90°
• Cell volume: 253.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No