Information card for entry 7202714

Structure parameters

• Common name: poly((aqua)(dimethylsulphoxide)tris(3- methoxybenzoato)lanthanum (iii)), DMSO solvate.
• Chemical name: poly[(aqua)(dimethylsulphoxide)tris(3-methoxybenzoato)lanthanum (III)], DMSO solvate.
• Formula: C28 H35 La O12 S2
• Calculated formula: C28 H35 La O12 S2
• Title of publication: Structural variations in rare earth benzoate complexes : Part I. Lanthanum
• Authors of publication: Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 394
• a: 9.6514 ± 0.0004 Å
• b: 21.4458 ± 0.0005 Å
• c: 15.9922 ± 0.0003 Å
• α: 90°
• β: 95.028 ± 0.001°
• γ: 90°
• Cell volume: 3297.36 ± 0.17 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No