Information card for entry 7203036

Structure parameters

• Common name: {[(H2O)2(DMSO)(4-NO2BA)3Y]DMSO}n
• Chemical name: poly{[bis(aqua)(dimethylsulphoxide)tris(4-nitrobenzoate)yttrium(III)] dimethylsulphoxide}
• Formula: C25 H28 N3 O16 S2 Y
• Calculated formula: C25 H28 N3 O16 S2 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: 9.9516 ± 0.0003 Å
• b: 10.5178 ± 0.0003 Å
• c: 15.9228 ± 0.0005 Å
• α: 98.84 ± 0.001°
• β: 96.54 ± 0.001°
• γ: 107.148 ± 0.002°
• Cell volume: 1551.09 ± 0.08 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0338
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0679
• 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: No
• Has Fobs: No