Information card for entry 7010958

Structure parameters

• Formula: C52 H117 Al5 O14
• Calculated formula: C52 H117 Al5 O14
• Title of publication: New polynuclear aluminium oxoalkoxides. Crystal structures of [Al5(μ5-O)(μ-OBui)8(OBui)5] and [Al8(μ4-O)2(μ-OH)2(μ-OBui)10(OBui)8]
• Authors of publication: Isaac Abrahams; Donald C. Bradley; Halina Chudzynska; Majid Motevalli; Robin A. Sinclair
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 2
• Pages of publication: 259 - 266
• a: 13.493 ± 0.001 Å
• b: 13.493 ± 0.001 Å
• c: 36.699 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6681.5 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 103
• Hermann-Mauguin space group symbol: P 4 c c
• Hall space group symbol: P 4 -2c
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No