Information card for entry 4510361

Structure parameters

• Common name: (Me4N)(dcnm)
• Chemical name: Tetramethylammonium dicyanonitrosomethanide
• Formula: C7 H12 N4 O
• Calculated formula: C7 H13 N4 O
• Title of publication: Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study
• Authors of publication: Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1922
• a: 8.663 ± 0.0017 Å
• b: 6.5838 ± 0.0013 Å
• c: 9.0253 ± 0.0018 Å
• α: 90°
• β: 116.56 ± 0.03°
• γ: 90°
• Cell volume: 460.4 ± 0.2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No