Information card for entry 2216541

Structure parameters

• Chemical name: <i>trans</i>-Bis(acetylacetonato)diaquachromium(III) perchlorate monohydrate
• Formula: C10 H20 Cl Cr O11
• Calculated formula: C10 H20 Cl Cr O11
• SMILES: [O-]Cl(=O)(=O)=O.[Cr]12(OC(=CC(=[O]1)C)C)([OH2])(OC(=CC(=[O]2)C)C)[OH2].O
• Title of publication: <i>trans</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: 12
• Pages of publication: m3128 - m3128
• a: 8.4735 ± 0.0001 Å
• b: 10.1022 ± 0.0001 Å
• c: 10.3165 ± 0.0001 Å
• α: 91.925 ± 0.001°
• β: 98.254 ± 0.001°
• γ: 98.388 ± 0.001°
• Cell volume: 863.264 ± 0.016 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes