Information card for entry 1512129

Structure parameters

• Common name: octakis(dma)lanthanum(III) triflate
• Chemical name: octakis(dma)lanthanum(III) trifluoromethanesulfonate
• Formula: C35 H72 F9 La N8 O17 S3
• Calculated formula: C35 H72 F9 La N8 O17 S3
• Title of publication: On the Structure and Volumetric Properties of Solvated Lanthanoid(III) Ions in Amide Solutions.
• Authors of publication: Fuchs, Anna; Lundberg, Daniel; Warmińska, Dorota; Persson, Ingmar
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 28
• Pages of publication: 8502 - 8511
• a: 12.6284 ± 0.0011 Å
• b: 25.1469 ± 0.0015 Å
• c: 17.7155 ± 0.0011 Å
• α: 90°
• β: 91.527 ± 0.008°
• γ: 90°
• Cell volume: 5623.8 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.2309
• Weighted residual factors for all reflections included in the refinement: 0.2454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No