Information card for entry 7235947

Structure parameters

• Chemical name: Glycine sodium nitrate
• Formula: C2 H5 N2 Na O5
• Calculated formula: C2 H5 N2 Na O5
• SMILES: C(=O)(C[NH3+])[O-].[Na+].[O-]N(=O)=O
• Title of publication: Ab initio study on optical properties of glycine sodium nitrate: a novel semiorganic nonlinear optical crystal
• Authors of publication: Dadsetani, M.; Omidi, A. R.
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 110
• Pages of publication: 90559
• a: 14.329 ± 0.003 Å
• b: 5.2662 ± 0.0011 Å
• c: 9.1129 ± 0.0018 Å
• α: 90°
• β: 119.1 ± 0.03°
• γ: 90°
• Cell volume: 600.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No