Information card for entry 2202624

Structure parameters

• Formula: C6 H9 Na3 O9
• Calculated formula: C6 H9 Na3 O9
• SMILES: C(=O)(CC(CC(=O)[O-])(C(=O)[O-])O)[O-].[Na+].[Na+].[Na+].O.O
• Title of publication: Trisodium citrate dihydrate
• Authors of publication: Andreas Fischer; Giuseppe Palladino
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m1080 - m1082
• a: 15.7044 ± 0.0004 Å
• b: 12.501 ± 0.0004 Å
• c: 11.2837 ± 0.0004 Å
• α: 90°
• β: 103.584 ± 0.0013°
• γ: 90°
• Cell volume: 2153.26 ± 0.12 ų
• Cell temperature: 299 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes