Information card for entry 7200459

Structure parameters

• Common name: [Me2H2N](cdm)
• Chemical name: dimethylammonium carbamoyldicyanomethanide
• Formula: C6 H10 N4 O
• Calculated formula: C6 H10 N4 O
• SMILES: [O-]C(N)=C(C#N)C#N.[NH2+](C)C
• Title of publication: Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks
• Authors of publication: Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 298
• a: 7.188 ± 0.0018 Å
• b: 8.2151 ± 0.0021 Å
• c: 8.5656 ± 0.0023 Å
• α: 71.608 ± 0.008°
• β: 65.906 ± 0.008°
• γ: 75.772 ± 0.008°
• Cell volume: 434.1 ± 0.2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No