Information card for entry 7202725

Structure parameters

• Common name: poly((aqua)(dimethylsulphoxide)tris(3- nitrobenzoato)lanthanum(iii)) bis DMSO solvate
• Chemical name: poly[(aqua)(dimethylsulphoxide)tris(3-nitrobenzoato)lanthanum(III)] bis DMSO solvate
• Formula: C27 H32 La N3 O16 S3
• Calculated formula: C26.996 H32 La N3 O16 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: 9.9777 ± 0.0001 Å
• b: 13.9145 ± 0.0002 Å
• c: 13.9532 ± 0.0002 Å
• α: 70.295 ± 0.001°
• β: 82.314 ± 0.001°
• γ: 75.908 ± 0.001°
• Cell volume: 1766.03 ± 0.04 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: 0.037
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No