Information card for entry 7235773

Structure parameters

• Formula: C14 H8 Na2 O5
• Calculated formula: C14 H8 Na2 O5
• SMILES: C(=O)(c1ccc(cc1)c1ccc(C(=O)[O-])cc1)[O-].[Na+].[Na+].O
• 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: 27.72 ± 0.006 Å
• b: 5.806 ± 0.0012 Å
• c: 7.553 ± 0.0015 Å
• α: 90°
• β: 92.7 ± 0.03°
• γ: 90°
• Cell volume: 1214.2 ± 0.4 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.64999 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No