Information card for entry 7050249

Structure parameters

• Chemical name: Amidinium acetate
• Formula: C4 H10 N2 O2
• Calculated formula: C4 H10 N2 O2
• SMILES: C(=[NH2+])(C)N.C(=O)(C)[O-]
• Title of publication: Supramolecular aggregation by means of charge-assisted hydrogen bonds in acid-base adducts containing amidinium cations
• Authors of publication: Ferretti, Valeria; Bertolasi, Valerio; Pretto, Loretta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 646
• a: 10.0507 ± 0.0004 Å
• b: 9.2132 ± 0.0005 Å
• c: 7.7953 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 721.84 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No