Information card for entry 2010014

Structure parameters

• Common name: 3Li + , [Cr (C2 O4)3] -3 , 6H2 O1
• Formula: C6 H12 Cr Li3 O18
• Calculated formula: C6 H12 Cr Li3 O18
• SMILES: C1(=O)C(O[Cr]23(O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3)=O.[Li+].[Li+].[Li+].O.O.O.O.O.O
• Title of publication: Lithium tris(oxalato-<i>O</i>,<i>O</i>')chromate(III) hexahydrate
• Authors of publication: Sekine, Akiko; Otsuka, Takuhiro; Ohashi, Yuji; Kaizu, Yokou
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 1399 - 1401
• a: 9.321 ± 0.002 Å
• b: 11.947 ± 0.002 Å
• c: 8.066 ± 0.002 Å
• α: 104.86 ± 0.01°
• β: 109.44 ± 0.01°
• γ: 91.79 ± 0.01°
• Cell volume: 812 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 2.3
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No