Information card for entry 2010601

Structure parameters

• Chemical name: Diaquatris(pentane-2,4-dionato-O,O')holmium(III) monohydrate
• Formula: C15 H27 Ho O9
• Calculated formula: C15 H27 Ho O9
• Title of publication: Diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) monohydrate and diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) 4-hydroxypentan-2-one solvate dihydrate
• Authors of publication: Kooijman, Huub; Nijsen, Frank; Spek, Anthony L.; Schip, Fred van het
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 156 - 158
• a: 8.242 ± 0.002 Å
• b: 21.782 ± 0.006 Å
• c: 12.557 ± 0.003 Å
• α: 90°
• β: 119.292 ± 0.014°
• γ: 90°
• Cell volume: 1966.1 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes