Information card for entry 2205105

Structure parameters

• Chemical name: 1,3,5-triazine-2,4,6-triamine
• Formula: C3 H6 N6
• Calculated formula: C3 H6 N6
• SMILES: c1(N)nc(N)nc(N)n1
• Title of publication: Melamine (1,3,5-triazine-2,4,6-triamine): a neutron diffraction study at 14K
• Authors of publication: Cousson, A.; Nicolaï, B.; Fillaux, F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o222 - o224
• a: 10.433 ± 0.001 Å
• b: 7.458 ± 0.001 Å
• c: 7.238 ± 0.001 Å
• α: 90°
• β: 113.3 ± 0.02°
• γ: 90°
• Cell volume: 517.25 ± 0.14 ų
• Cell temperature: 14 K
• Ambient diffraction temperature: 14 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1111
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.831 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes