Information card for entry 2232080

Structure parameters

• Common name: Bis(guanidinium) chloranilate
• Chemical name: Bis(guanidinium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olate)
• Formula: C8 H12 Cl2 N6 O4
• Calculated formula: C8 H12 Cl2 N6 O4
• SMILES: [O-]C1=C(Cl)C(=O)C(=C(C1=O)Cl)[O-].NC(=[NH2+])N.NC(=[NH2+])N
• Title of publication: Bis(guanidinium) chloranilate
• 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: 10
• Pages of publication: o2625
• a: 19.5224 ± 0.0014 Å
• b: 3.7316 ± 0.0003 Å
• c: 18.4103 ± 0.0014 Å
• α: 90°
• β: 116.087 ± 0.001°
• γ: 90°
• Cell volume: 1204.56 ± 0.16 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0293
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes