Information card for entry 7203030

Structure parameters

• Common name: [Y(3-MeBA)3(DMSO)(H2O)]2.2DMSO
• Chemical name: bis[(aqua)(dimethylsulphoxide)tris(3-methylbenzoate)yttrium (III)].dmso solvate
• Formula: C56 H70 O18 S4 Y2
• Calculated formula: C56 H70 O18 S4 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: 8.5731 ± 0.0017 Å
• b: 12.059 ± 0.002 Å
• c: 16.072 ± 0.003 Å
• α: 106.75 ± 0.03°
• β: 96.04 ± 0.02°
• γ: 102.04 ± 0.03°
• Cell volume: 1531.6 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No