Information card for entry 2011978

Structure parameters

• Chemical name: hexa-μ~2~-isopropoxy-1:2κ^4^O;1:3κ^4^O;1:4κ^4^O-hexaisopropoxy- 2κ^2^O,3κ^2^O,4κ^2^O-trialuminium(III)neodymium(III)
• Formula: C36 H84 Al3 Nd O12
• Calculated formula: C36 H84 Al3 Nd O12
• Title of publication: Nd[Al(^<i>i^</i>PrO)~4~]~3~, a novel tetranuclear alkoxide forming merohedrally twinned crystals
• Authors of publication: Moustiakimov, Marat; Kritikos, Mikael; Westin, Gunnar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 515 - 516
• a: 13.1476 ± 0.0015 Å
• b: 22.6558 ± 0.0016 Å
• c: 16.9355 ± 0.0019 Å
• α: 90°
• β: 90.221 ± 0.014°
• γ: 90°
• Cell volume: 5044.5 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes