Information card for entry 2201558

Structure parameters

• Formula: C6 H14 Cr K O13
• Calculated formula: C6 H14 Cr K O13
• SMILES: [Cr]12(OC(=O)CC(=O)O1)(OC(=O)CC(=O)O2)([OH2])[OH2].[K+].O.O.O
• Title of publication: Potassium <i>trans</i>-diaquabis(malonato)chromium(III) trihydrate
• Authors of publication: Lemmer, Markus; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m447 - m448
• a: 7.0279 ± 0.0005 Å
• b: 11.6943 ± 0.0005 Å
• c: 16.5623 ± 0.0012 Å
• α: 90°
• β: 96.791 ± 0.006°
• γ: 90°
• Cell volume: 1351.65 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes