Information card for entry 2000174

Structure parameters

• Formula: C14 H20 Na4 O16
• Calculated formula: C14 H20 Na4 O16
• SMILES: C(=O)(c1ccc(C(=O)[O-])c2c1c(C(=O)[O-])ccc2C(=O)[O-])[O-].[Na+].O.[Na+].O.O.O.[Na+].O.O.[Na+].O.O
• Title of publication: Structure of tetrasodium 1,4,5,8-naphthalenetetracarboxylate octahydrate
• Authors of publication: Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 2315 - 2319
• a: 6.142 ± 0.001 Å
• b: 8.144 ± 0.003 Å
• c: 20.527 ± 0.004 Å
• α: 90°
• β: 93.97 ± 0.01°
• γ: 90°
• Cell volume: 1024.3 ± 0.5 ų
• 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
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No