Information card for entry 4310538

Structure parameters

• Common name: ammonium dicyanamide
• Chemical name: ammonium dicyanamide
• Formula: C2 H4 N4
• Calculated formula: C2 H4 N4
• SMILES: [NH4+].N#C[N-]C#N
• Title of publication: Characterization of the Thermally Induced Topochemical Solid-State Transformation of NH4[N(CN)2] into NCNC(NH2)2 by Means of X-ray and Neutron Diffraction as Well as Raman and Solid-State NMR Spectroscopy
• Authors of publication: Bettina V. Lotsch; Jürgen Senker; Wolfgang Schnick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 895 - 904
• a: 3.7913 ± 0.0008 Å
• b: 12.4117 ± 0.0018 Å
• c: 9.1125 ± 0.0013 Å
• α: 90°
• β: 91.49 ± 0.02°
• γ: 90°
• Cell volume: 428.66 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No