Information card for entry 2227096

Structure parameters

• Common name: guanidinium phenylarsonate guanidine dihyrate
• Chemical name: Guanidinium phenylarsonate‒guanidine‒water (1/1/2)
• Formula: C8 H21 As N6 O5
• Calculated formula: C8 H21 As N6 O5
• SMILES: [As](=O)(O)([O-])c1ccccc1.NC(=[NH2+])N.NC(N)=N.O.O
• Title of publication: Guanidinium phenylarsonate‒guanidine‒water (1/1/2)
• Authors of publication: Smith, Graham; Wermuth, Urs D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1893 - o1894
• a: 18.6545 ± 0.0014 Å
• b: 7.6394 ± 0.0003 Å
• c: 12.6319 ± 0.001 Å
• α: 90°
• β: 121.856 ± 0.01°
• γ: 90°
• Cell volume: 1529 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0209
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0354
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes