Information card for entry 2006418

Structure parameters

• Chemical name: N,N'-Diphenylguanidinium hydrogenselenite monohydrate
• Formula: C13 H17 N3 O4 Se
• Calculated formula: C13 H17 N3 O4 Se
• SMILES: [Se](=O)([O-])O.O.N(C(=[NH2+])Nc1ccccc1)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Diphenylguanidinium Hydrogenselenite Monohydrate
• Authors of publication: Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; de Matos Gomes, E.; Martín-Gil, J.; Martín-Gil, F.J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1113 - 1115
• a: 6.36 ± 0.001 Å
• b: 19.272 ± 0.002 Å
• c: 12.604 ± 0.002 Å
• α: 90°
• β: 93.75 ± 0.01°
• γ: 90°
• Cell volume: 1541.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.062
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No