Information card for entry 7202716

Structure parameters

• Common name: poly((bis(aqua)bis(dimethylsulphoxide)hexa(4-methoxybenzoato) dilanthanum).DMSO.H2O)
• Chemical name: poly{[bis(aqua)bis(dimethylsulphoxide)hexa(4-methoxybenzoato) dilanthanum].DMSO.H2O}
• Formula: C54 H66 La2 O24 S3
• Calculated formula: C54 H64 La2 O24 S3
• 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: 9.633 ± 0.0003 Å
• b: 10.038 ± 0.0003 Å
• c: 32.5121 ± 0.0008 Å
• α: 86.171 ± 0.001°
• β: 89.509 ± 0.001°
• γ: 75.716 ± 0.001°
• Cell volume: 3039.7 ± 0.15 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: 0.0834
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1172
• 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