Information card for entry 2015231

Structure parameters

• Common name: Bis(glycine) lithium chromate monohydrate
• Chemical name: poly[aquadi-μ-glycinato-μ-tetraoxo-chromato(VI)lithium(I)]}
• Formula: C4 H12 Cr Li2 N2 O9
• Calculated formula: C4 H12 Cr Li2 N2 O9
• SMILES: O=[Cr](=O)([O-])[O-].C(=O)(C[NH3+])[O-].C(=O)(C[NH3+])[O-].[Li+].[Li+].O
• Title of publication: Two new non-centrosymmetric lithium salts of glycine: bis(glycine) lithium chromate monohydrate and bis(glycine) lithium molybdate
• Authors of publication: Michel Fleck; Karolina Schwendtner; Ana Hensler
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m122 - m125
• a: 6.202 ± 0.001 Å
• b: 9.192 ± 0.002 Å
• c: 19.294 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1099.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes