Information card for entry 2232878

Structure parameters

• Common name: lithium hydrogen <i>cis</i>-cylohexanedicarboxylate dihydrate
• Chemical name: <i>catena</i>-Poly[[diaqualithium]-μ-[<i>rac-cis</i>-(2-carboxycyclohexane-1- carboxylato-κ^2^<i>O</i>^1^:<i>O</i>^2^]]
• Formula: C8 H15 Li O6
• Calculated formula: C8 H15 Li O6
• SMILES: [Li]([OH2])([OH2])OC(=O)[C@H]1[C@H](CCCC1)C(=O)[OH][Li]([OH2])([OH2])[OH]C(=O)[C@H]1[C@H](CCCC1)C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[diaqualithium]-μ-[<i>rac-cis</i>-(2-carboxycyclohexane-1-carboxylato-κ^2^<i>O</i>^1^:<i>O</i>^2^]]
• Authors of publication: Smith, Graham; Wermuth, Urs D.; Williams, Michael L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1658
• a: 16.2749 ± 0.0005 Å
• b: 5.4568 ± 0.0002 Å
• c: 12.0438 ± 0.0005 Å
• α: 90°
• β: 97.533 ± 0.003°
• γ: 90°
• Cell volume: 1060.37 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes