Information card for entry 7200460

Structure parameters

• Common name: [Me3HN](cdm)
• Chemical name: trimethylammonium carbamoyldicyanomethanide
• Formula: C7 H12 N4 O
• Calculated formula: C7 H12 N4 O
• SMILES: [O-]C(N)=C(C#N)C#N.[NH+](C)(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: 19.6961 ± 0.0012 Å
• b: 7.0629 ± 0.0004 Å
• c: 16.3887 ± 0.0009 Å
• α: 90°
• β: 125.203 ± 0.003°
• γ: 90°
• Cell volume: 1862.9 ± 0.2 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: 0.0574
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No