Information card for entry 7240040

Structure parameters

• Formula: C8 H12 Na2 O10
• Calculated formula: C8 H12 Na2 O10
• Title of publication: From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li
• Authors of publication: Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 9
• Pages of publication: 1653 - 1663
• a: 7.3226 ± 0.0011 Å
• b: 9.2359 ± 0.0005 Å
• c: 18.444 ± 0.002 Å
• α: 100.611 ± 0.006°
• β: 90.051 ± 0.012°
• γ: 101.428 ± 0.011°
• Cell volume: 1200.8 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1197
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No