Information card for entry 4507696

Structure parameters

• Common name: guanidine
• Chemical name: guanidine
• Formula: C H5 N3
• Calculated formula: C H5 N3
• SMILES: C(=N)(N)N
• Title of publication: Single-Crystal Neutron Diffraction Study on Guanidine, CN3H5
• Authors of publication: Sawinski, Peter Klaus; Meven, Martin; Englert, Ulli; Dronskowski, Richard
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1730
• a: 8.5022 ± 0.0002 Å
• b: 9.0863 ± 0.0002 Å
• c: 15.6786 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1211.23 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.7937 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No