Information card for entry 7202720

Structure parameters

• Common name: poly((aqua)(dimethylsulphoxide)tris(3- methylbenzoato)lanthanum(iii)) water solvate
• Chemical name: poly[(aqua)(dimethylsulphoxide)tris(3-methylbenzoato)lanthanum(III)] water solvate
• Formula: C26 H31 La O9 S
• Calculated formula: C26 H31 La O9 S
• 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: 9.6022 ± 0.0002 Å
• b: 9.9801 ± 0.0002 Å
• c: 16.1375 ± 0.0003 Å
• α: 106.171 ± 0.001°
• β: 94.743 ± 0.001°
• γ: 101.49 ± 0.001°
• Cell volume: 1439.75 ± 0.05 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0464
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No