Information card for entry 2205718

Structure parameters

• Formula: C48 H76 F12 Nd4 O42 S4
• Calculated formula: C40 H56 F12 Nd4 O40 S4
• Title of publication: Octaaquatetrakis(μ~2~-2,6-diformyl-4-methylphenolato)tetra-μ~3~-hydroxo-tetraneodymium(III) trifluoromethanesulfonate butanol disolvate tetrahydrate
• Authors of publication: Singh-Wilmot, Marvadeen A.; Kahwa, Ishenkumba A.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m970 - m972
• a: 24.0937 ± 0.0004 Å
• b: 24.6345 ± 0.0005 Å
• c: 16.7428 ± 0.0003 Å
• α: 90°
• β: 117.375 ± 0.0011°
• γ: 90°
• Cell volume: 8824.6 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes