Information card for entry 2208658

Structure parameters

• Chemical name: Guanidinum diphenylphosphinate monohydrate
• Formula: C13 H18 N3 O3 P
• Calculated formula: C13 H18 N3 O3 P
• SMILES: C(=[NH2+])(N)N.[O-]P(=O)(c1ccccc1)c1ccccc1.O
• Title of publication: Guanidinum diphenylphosphinate monohydrate
• Authors of publication: Najafpour, M. Mahdi; McKee, Vickie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1365 - o1368
• a: 11.2395 ± 0.001 Å
• b: 10.0101 ± 0.0009 Å
• c: 12.9814 ± 0.0012 Å
• α: 90°
• β: 98.653 ± 0.002°
• γ: 90°
• Cell volume: 1443.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes