Information card for entry 7235774

Structure parameters

• Formula: C14 H9 N0 Na O4
• Calculated formula: C14 H9 Na O4
• SMILES: O=C(O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-].[Na+]
• Title of publication: 4,4′-Biphenyldicarboxylate sodium coordination compounds as anodes for Na-ion batteries
• Authors of publication: Choi, Aram; Kim, Yun Kyeong; Kim, Tae Kyung; Kwon, Mi-Sook; Lee, Kyu Tae; Moon, Hoi Ri
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 36
• Pages of publication: 14986
• a: 3.655 ± 0.0007 Å
• b: 11.214 ± 0.002 Å
• c: 12.985 ± 0.003 Å
• α: 89.55 ± 0.03°
• β: 84.39 ± 0.03°
• γ: 88.78 ± 0.03°
• Cell volume: 529.54 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.69999 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No