Information card for entry 7052108

Structure parameters

• Common name: guanidinium hydrogen adipate
• Chemical name: Guanidinium hydrogen pentanedicarboxylate
• Formula: C6 H13 N3 O4
• Calculated formula: C6 H13 N3 O4
• SMILES: C(=O)(CCCC(=O)O)[O-].C(=[NH2+])(N)N
• Title of publication: Two-dimensional hydrogen-bonded networks in guanidinium hydrogen dicarboxylates
• Authors of publication: Veneta Videnova-Adrabinska; Elżbieta Obara; Tadeusz Lis
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 2
• Pages of publication: 287
• a: 5.284 ± 0.002 Å
• b: 8.501 ± 0.003 Å
• c: 10.466 ± 0.004 Å
• α: 69.1 ± 0.03°
• β: 77.91 ± 0.03°
• γ: 89.42 ± 0.03°
• Cell volume: 428.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No