Information card for entry 7202712

Structure parameters

• Common name: poly(tris(dimethylformamide)hexakis(3-nitrobenzoato)bis- lanthanum (iii)) DMF/H2O solvate
• Chemical name: poly[tris(dimethylformamide)hexakis(3-nitrobenzoato)bis-lanthanum (III)] DMF/H2O solvate
• Formula: C54 H58 La2 N10 O29
• Calculated formula: C54 H58 La2 N10 O29
• 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: 13.537 ± 0.0003 Å
• b: 15.4019 ± 0.0004 Å
• c: 17.2256 ± 0.0004 Å
• α: 69.58 ± 0.001°
• β: 73.354 ± 0.001°
• γ: 71.91 ± 0.001°
• Cell volume: 3134.8 ± 0.13 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: 0.0333
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No