Information card for entry 4338705

Structure parameters

• Common name: trisodium homocitrate
• Formula: C7 H9 Na3 O8
• Calculated formula: C7 H9 Na3 O8
• SMILES: OC(C(=O)[O-])(CC(=O)[O-])CCC(=O)[O-].[Na+].[Na+].[Na+].O
• Title of publication: Formations of mixed-valence oxovanadiumV,IV citrates and homocitrate with N-heterocycle chelated ligand.
• Authors of publication: Chen, Can-Yu; Zhou, Zhao-Hui; Chen, Hong-Bin; Huang, Pei-Qiang; Tsai, Khi-Rui; Chow, Yuan L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2008
• Journal volume: 47
• Journal issue: 19
• Pages of publication: 8714 - 8720
• a: 5.8041 ± 0.0003 Å
• b: 8.092 ± 0.0005 Å
• c: 10.9032 ± 0.0008 Å
• α: 80.153 ± 0.006°
• β: 82.6 ± 0.005°
• γ: 87.431 ± 0.005°
• Cell volume: 500.21 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No