Information card for entry 2017315

Structure parameters

• Chemical name: trisodium(I) managnese(III) citrate(3-) dihydrate
• Formula: C6 H9 Mn0.011 Na3 O9
• Calculated formula: C6 H9 Mn0.0112 Na3 O9
• SMILES: [Na+].[Na+].[Na+].[O-]C(=O)CC(O)(CC(=O)[O-])C(=O)[O-].O.O
• Title of publication: Sodium citrate dihydrate doped with Mn^3+^ ions
• Authors of publication: Poleti, Dejan; Karanović, Ljiljana; Dordjević, Tamara; Duriš, Katarina
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m355 - m357
• a: 15.7072 ± 0.0003 Å
• b: 12.4989 ± 0.0002 Å
• c: 11.271 ± 0.0002 Å
• α: 90°
• β: 103.599 ± 0.001°
• γ: 90°
• Cell volume: 2150.72 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes