Information card for entry 2236981

Structure parameters

• Common name: dichloro-3-pyridylarsine hydrochloride hydrate
• Chemical name: <i>catena</i>-Poly[[[dichlorido(pyridin-1-ium-3-yl)arsenic(III)]-μ-chlorido] monohydrate]
• Formula: C5 H7 As Cl3 N O
• Calculated formula: C5 H7 As Cl3 N O
• SMILES: c1(c[nH+]ccc1)[As](Cl)Cl.O.[Cl-]
• Title of publication: <i>catena</i>-Poly[[[dichlorido(pyridin-1-ium-3-yl)arsenic(III)]-μ-chlorido] monohydrate]
• Authors of publication: Reck, Lukas; Schmitt, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1437 - m1438
• a: 8.2107 ± 0.0009 Å
• b: 8.5812 ± 0.0009 Å
• c: 13.2046 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 930.37 ± 0.17 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 46
• Hermann-Mauguin space group symbol: I m 2 a
• Hall space group symbol: I -2a -2a
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No