Information card for entry 7202722

Structure parameters

• Common name: bis(bis(dimethylsulphoxide)tris(2,4,6- trimethylbenzoato)lanthanum (iii))
• Chemical name: bis[bis(dimethylsulphoxide)tris(2,4,6-trimethylbenzoato)lanthanum (III)]
• Formula: C68 H90 La2 O16 S4
• Calculated formula: C68 H90 La2 O16 S4
• 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: 25.5545 ± 0.0002 Å
• b: 19.5508 ± 0.0002 Å
• c: 16.9228 ± 0.0002 Å
• α: 90°
• β: 118.495 ± 0.001°
• γ: 90°
• Cell volume: 7430.59 ± 0.15 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No