Information card for entry 2215047

Structure parameters

• Chemical name: <i>cis</i>-Bis(acetylacetonato)diaquachromium(III) perchlorate monohydrate
• Formula: C10 H20 Cl Cr O11
• Calculated formula: C10 H20 Cl Cr O11
• SMILES: [Cr]12([O]=C(C)C=C(O1)C)([OH2])([OH2])OC(=CC(=[O]2)C)C.Cl(=O)(=O)(=O)[O-].O
• Title of publication: <i>cis</i>-Bis(acetylacetonato)diaquachromium(III) perchlorate monohydrate
• Authors of publication: Arulsamy, Navamoney; Crawford, Jared L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2307 - m2307
• a: 9.9811 ± 0.0003 Å
• b: 14.847 ± 0.0005 Å
• c: 12.0093 ± 0.0004 Å
• α: 90°
• β: 96.036 ± 0.002°
• γ: 90°
• Cell volume: 1769.78 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes