Information card for entry 2239730

Structure parameters

• Chemical name: Poly[μ~6~-(naphthalene-2,6-dicarboxylato)-bis(aqualithium)]
• Formula: C12 H10 Li2 O6
• Calculated formula: C12 H10 Li2 O6
• SMILES: C(=O)(c1cc2c(cc1)cc(C(=O)[O-])cc2)[O-].O.O.[Li+].[Li+]
• Title of publication: Poly[μ~6~-(naphthalene-2,6-dicarboxylato)-bis(aqualithium)]
• Authors of publication: Fédèle, Lionel; Sauvage, Frédéric; Becuwe, Matthieu; Chotard, Jean-Noël
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: m288
• a: 23.5695 ± 0.0018 Å
• b: 6.8115 ± 0.0005 Å
• c: 7.5327 ± 0.0006 Å
• α: 90°
• β: 90.325 ± 0.003°
• γ: 90°
• Cell volume: 1209.31 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes