Information card for entry 2201726

Structure parameters

• Common name: Disodium dihydrogen pyromellitate dihydrate
• Chemical name: Disodium dihydrogen 1,2,4,5-benzenetetracarboxylate dihydrate
• Formula: C10 H8 Na2 O10
• Calculated formula: C10 H8 Na2 O10
• SMILES: C(=O)(c1c(C(=O)O)cc(C(=O)[O-])c(C(=O)O)c1)[O-].[Na+].O.[Na+].O
• Title of publication: Disodium dihydrogen 1,2,4,5-benzenetetracarboxylate dihydrate
• Authors of publication: Hu, Mao-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: m616 - m618
• a: 5.49 ± 0.001 Å
• b: 6.799 ± 0.002 Å
• c: 8.716 ± 0.002 Å
• α: 79.742 ± 0.004°
• β: 75.852 ± 0.003°
• γ: 69.517 ± 0.003°
• Cell volume: 293.99 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes