Information card for entry 2022962

Structure parameters

• Chemical name: μ-Biphenyl-4,4'-disulfonato-bis(aqualithium)
• Formula: C12 H12 Li2 O8 S2
• Calculated formula: C12 H12 Li2 O8 S2
• Title of publication: Crystal structure of dilithium biphenyl-4,4'-di-sulfonate dihydrate.
• Authors of publication: Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 1
• Pages of publication: 22 - 24
• a: 15.8584 ± 0.0011 Å
• b: 5.3693 ± 0.0004 Å
• c: 8.8636 ± 0.0006 Å
• α: 90°
• β: 99.994 ± 0.007°
• γ: 90°
• Cell volume: 743.27 ± 0.09 ų
• Cell temperature: 286 K
• Ambient diffraction temperature: 286 K
• Number of distinct elements: 5
• 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: 0.0683
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes