Information card for entry 2203624

Structure parameters

• Chemical name: Triaquabis(benzene-1,3-dioxyacetato)sodium(I) hexaaquachromium(III) pentahydrate
• Formula: C20 H44 Cr Na O26
• Calculated formula: C20 H44 Cr Na O26
• SMILES: [Cr]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Na]1([OH2])([OH2])([OH2])(OC(=O)C[O]1c1cc(OCC(=O)[O-])ccc1)OC(=O)COc1cc(OCC(=O)[O-])ccc1.O.O.O.O.O
• Title of publication: Hexaaquachromium(III) triaquabis(benzene-1,3-dioxyacetato)sodate(I) pentahydrate
• Authors of publication: Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m622 - m624
• a: 9.334 ± 0.002 Å
• b: 11.78 ± 0.002 Å
• c: 16.303 ± 0.003 Å
• α: 103.54 ± 0.03°
• β: 104.82 ± 0.03°
• γ: 97.78 ± 0.03°
• Cell volume: 1648 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.063
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes