Information card for entry 7216125

Structure parameters

• Common name: guanidinium rhodizonate
• Formula: C8 H12 N6 O6
• Calculated formula: C8 H12 N6 O6
• SMILES: C1(=O)C(=O)C(=O)C(=O)C([O-])=C1[O-].NC(=[NH2+])N.C(=[NH2+])(N)N
• Title of publication: An unexpected network in guanidinium rhodizonate
• Authors of publication: Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 105
• Pages of publication: 629
• a: 3.641 ± 0.005 Å
• b: 9.363 ± 0.014 Å
• c: 17.51 ± 0.03 Å
• α: 90°
• β: 92.5 ± 0.02°
• γ: 90°
• Cell volume: 596.4 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2317
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No