Information card for entry 2207888

Structure parameters

• Chemical name: Tetrakis(μ~2~-2,6-diformyl-4-methylphenolato)tetra-μ~3~-hydroxo- tetrakis[diaquaneodymium(III)] tetrakis(perchlorate) ethanol disolvate
• Formula: C40 H60 Cl4 Nd4 O42
• Calculated formula: C36 H48 Cl4 Nd4 O40
• Title of publication: Tetrakis(μ~2~-2,6-diformyl-4-methylphenolato)tetra-μ~3~-hydroxo-tetrakis[diaquaneodymium(III)] tetrakis(perchlorate) ethanol disolvate
• Authors of publication: Singh-Wilmot, Marvadeen A.; Kahwa, Ishenkumba A.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m113 - m115
• a: 20.9933 ± 0.0003 Å
• b: 24.7385 ± 0.0005 Å
• c: 17.6893 ± 0.0003 Å
• α: 90°
• β: 120.469 ± 0.001°
• γ: 90°
• Cell volume: 7918.1 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes