Information card for entry 4001502

Structure parameters

• Common name: Melaminium tricyanomelaminate hydrate
• Chemical name: Dimelaminium hydrogen tricyanomelaminate hydrate
• Formula: C12 H19.8 N21 O2.4
• Calculated formula: C12 H19.798 N21 O2.399
• SMILES: Nc1nc(N)[nH+]c(n1)N.Nc1nc(N)[nH+]c(n1)N.N#CN=C1NC([N-]C#N)=NC(=N1)[N-]C#N.O.O.O
• 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: 10.295 ± 0.002 Å
• b: 11.203 ± 0.002 Å
• c: 11.207 ± 0.002 Å
• α: 104.22 ± 0.03°
• β: 112.74 ± 0.03°
• γ: 104.62 ± 0.03°
• Cell volume: 1064.8 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1015
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No