Information card for entry 2201658

Structure parameters

• Chemical name: Guanidium Dihydrigen 1,2,4,5-Benzenetetracarboxylate
• Formula: C12 H16 N6 O8
• Calculated formula: C12 H16 N6 O8
• SMILES: C(=O)(c1cc(c(C(=O)O)cc1C(=O)[O-])C(=O)[O-])O.C(=[NH2+])(N)N.C(=[NH2+])(N)N
• Title of publication: Guanidinium pyromellitate
• Authors of publication: Yan-Qiong Sun; Jie Zhang; Guo-Yu Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o904 - o906
• a: 3.7949 ± 0.0002 Å
• b: 20.1494 ± 0.0009 Å
• c: 10.3903 ± 0.0001 Å
• α: 90°
• β: 100.501 ± 0.003°
• γ: 90°
• Cell volume: 781.19 ± 0.06 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes