Information card for entry 2209348

Structure parameters

• Chemical name: Octaaquaytterbium(III) tris(3-carboxy-4-hydroxybenzenesulfonate) monohydrate
• Formula: C21 H33 O27 S3 Yb
• Calculated formula: C21 H33 O27 S3 Yb
• Title of publication: Octaaquaytterbium(III) tris(3-carboxy-4-hydroxybenzenesulfonate) monohydrate
• Authors of publication: Rohde, Alexander; Urland, Werner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1210 - m1212
• a: 7.523 ± 0.002 Å
• b: 12.445 ± 0.004 Å
• c: 19.475 ± 0.006 Å
• α: 74.74 ± 0.03°
• β: 82.28 ± 0.03°
• γ: 77.68 ± 0.03°
• Cell volume: 1712.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes