Information card for entry 4510362

Structure parameters

• Common name: (Me4N)(dcnom)
• Chemical name: Tetramethylammonium dicyanonitromethanide
• Formula: C7 H12 N4 O2
• Calculated formula: C7 H12 N4 O2
• SMILES: [N+](C)(C)(C)C.N(=O)([O-])=C(C#N)C#N
• 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: 11.5852 ± 0.0012 Å
• b: 15.6154 ± 0.0019 Å
• c: 11.3954 ± 0.0011 Å
• α: 90°
• β: 109.555 ± 0.005°
• γ: 90°
• Cell volume: 1942.6 ± 0.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• 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: 0.066
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No