Information card for entry 7202721

Structure parameters

• Common name: poly(tris(3-methylbenzoato)(3-methylbenzoic acid)lanthanum(iii)) 3-methylbenzoic acid solvate
• Chemical name: poly[tris(3-methylbenzoato)(3-methylbenzoic acid)lanthanum(III)] 3- methylbenzoic acid solvate
• Formula: C36 H33 La O9
• Calculated formula: C36 H32.5 La O9
• 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: 8.2424 ± 0.0003 Å
• b: 12.3545 ± 0.0006 Å
• c: 16.3741 ± 0.0009 Å
• α: 79.625 ± 0.003°
• β: 87.983 ± 0.003°
• γ: 82.373 ± 0.003°
• Cell volume: 1625.51 ± 0.13 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1288
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.2267
• Weighted residual factors for all reflections included in the refinement: 0.2566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No