Information card for entry 2010602

Structure parameters

• Chemical name: diaquatris(pentane-2,4-dionato-O,O')holmium(III) 4-hydroxypentan-2-one solvate dihydrate
• Formula: C20 H37 Ho O12
• Calculated formula: C20 H37 Ho O12
• 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: 11.4903 ± 0.0011 Å
• b: 11.0242 ± 0.0006 Å
• c: 20.5442 ± 0.0015 Å
• α: 90°
• β: 93.44 ± 0.007°
• γ: 90°
• Cell volume: 2597.7 ± 0.3 ų
• Cell temperature: 293 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: 0.043
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes