Information card for entry 7203025

Structure parameters

• Common name: [Y(BA)3(DMSO)]n
• Chemical name: poly[tris(benzoato)(dimethylsulphoxide)yttrium(III)]
• Formula: C23 H21 O7 S Y
• Calculated formula: C23 H21 O7 S Y
• Title of publication: Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium
• Authors of publication: Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1110
• a: 22.2733 ± 0.0012 Å
• b: 22.2733 ± 0.0012 Å
• c: 8.9917 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4460.8 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No