Information card for entry 4001500

Structure parameters

• Common name: Ammonium tricyanomelaminate
• Chemical name: Diammonium hydrogen tricyanomelaminate
• Formula: C6 H9 N11
• Calculated formula: C6 H9 N11
• SMILES: N1C([N-]C([N-]C1=NC#N)=NC#N)=NC#N.[NH4+].[NH4+]
• Title of publication: From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials
• Authors of publication: Lotsch, Bettina V.; Schnick, Wolfgang
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1891
• a: 10.608 ± 0.002 Å
• b: 11.462 ± 0.002 Å
• c: 9.1332 ± 0.0018 Å
• α: 90°
• β: 112.36 ± 0.03°
• γ: 90°
• Cell volume: 1027 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.0471
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No