Information card for entry 7102056

Structure parameters

• Common name: 2-amino-4,6-dimethyl-triazine * 2 guanidine
• Chemical name: 2-amino-4,6-dimethyl-triazine * 2 guanidine
• Formula: C7 H18 N10
• Calculated formula: C7 H18 N10
• SMILES: C(=N)(N)N.c1(C)nc(nc(C)n1)N.C(=N)(N)N
• Title of publication: First structural characterization of guanidine, HN=C(NH(2))(2).
• Authors of publication: Göbel, Michael; Klapötke, Thomas M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 30
• Pages of publication: 3180 - 3182
• a: 6.5743 ± 0.0002 Å
• b: 23.7968 ± 0.0007 Å
• c: 7.8931 ± 0.0002 Å
• α: 90°
• β: 96.373 ± 0.002°
• γ: 90°
• Cell volume: 1227.22 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No