Information card for entry 2012680

Structure parameters

• Common name: cacodyl cyanide
• Chemical name: cyanodimethylarsine
• Formula: C3 H6 As N
• Calculated formula: C3 H6 As N
• SMILES: [As](C)(C#N)C
• Title of publication: Intermolecular interactions in cyanodimethylarsine and cyanodimethylstibine
• Authors of publication: Britton, Doyle; Young Jr, Victor G.; Schlemper, Elmer O.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m307 - m309
• a: 10.738 ± 0.002 Å
• b: 6.253 ± 0.002 Å
• c: 7.875 ± 0.002 Å
• α: 98.3 ± 0.03°
• β: 108.39 ± 0.03°
• γ: 90.68 ± 0.03°
• Cell volume: 495.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: C -1
• Hall space group symbol: -P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes