Information card for entry 7203034

Structure parameters

• Common name: SH5DMSO
• Chemical name: poly[hexa(3-nitrobenzoato)(dimethylsulphoxide)bis(aqua)bisyttrium (III)].DMSO solvate
• Formula: C48 H46 N6 O29 S3 Y2
• Calculated formula: C48 H46 N6 O29 S3 Y2
• 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: 10.4247 ± 0.0005 Å
• b: 16.1016 ± 0.0008 Å
• c: 18.7135 ± 0.0006 Å
• α: 93.351 ± 0.002°
• β: 101.038 ± 0.002°
• γ: 106.429 ± 0.003°
• Cell volume: 2935.9 ± 0.2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No