Information card for entry 4339902

Structure parameters

• Formula: C4 H6 Na2 O6
• Calculated formula: C4 H6 Na2 O6
• SMILES: [Na+].[Na+].O[C@H](C(=O)[O-])CC(=O)[O-].O
• Title of publication: Selective ligand conversion of ethylenediamine tetraacetate to its triacetate on peroxotitanate(IV).
• Authors of publication: Zhou, Zhao-Hui; Deng, Yuan-Fu; Liu, Qiong-Xin; Zhang, Hua-Lin; Mak, Thomas C. W.; Chow, Yuan L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 6846 - 6848
• a: 6.2573 ± 0.0004 Å
• b: 9.6814 ± 0.0006 Å
• c: 11.1333 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 674.45 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No