Information card for entry 4510363

Structure parameters

• Common name: (Me4N)(nbdm)
• Chemical name: Tetramethylammonium nitroso-N,N-bis(dicyanomethanide)
• Formula: C10 H12 N6 O
• Calculated formula: C10 H12 N6 O
• SMILES: C(C#N)(C#N)=N([O-])=C(C#N)C#N.C[N+](C)(C)C
• 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: 11.5051 ± 0.0008 Å
• b: 16.5318 ± 0.0011 Å
• c: 6.3634 ± 0.0004 Å
• α: 90°
• β: 93.046 ± 0.002°
• γ: 90°
• Cell volume: 1208.61 ± 0.14 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No