Information card for entry 2231478

Structure parameters

• Common name: bis(guanidinium) cyananilate
• Chemical name: bis(guanidinium) 2,5-dicyano-3,6-dioxocyclohexa-1,4-diene-1,4-diolate
• Formula: C10 H12 N8 O4
• Calculated formula: C10 H12 N8 O4
• SMILES: [NH2+]=C(N)N.[NH2+]=C(N)N.NCC1=C([O-])C(=O)C(=C(C1=O)[O-])CN
• Title of publication: Bis(guanidinium) cyananilate
• Authors of publication: Udachin, Konstantin A.; Zaman, Md. Badruz; Ripmeester, John A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2279
• a: 19.4873 ± 0.0017 Å
• b: 3.6611 ± 0.0003 Å
• c: 20.2452 ± 0.0018 Å
• α: 90°
• β: 112.887 ± 0.002°
• γ: 90°
• Cell volume: 1330.7 ± 0.2 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes