Information card for entry 7202713

Structure parameters

• Common name: poly((aqua)(dimethylsulphoxide)tris(4- nitrobenzoato)lanthanum(iii)) DMSO solvate
• Chemical name: poly[(aqua)(dimethylsulphoxide)tris(4-nitrobenzoato)lanthanum(III)] DMSO solvate
• Formula: C25 H26 La N3 O15 S2
• Calculated formula: C25 H26 La N3 O15 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: 16.4013 ± 0.001 Å
• b: 9.6954 ± 0.0005 Å
• c: 20.2097 ± 0.0011 Å
• α: 90°
• β: 108.461 ± 0.002°
• γ: 90°
• Cell volume: 3048.3 ± 0.3 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• 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: 0.0859
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No