Information card for entry 4111522

Structure parameters

• Formula: C40 H54 Al Cl N2 O Zr
• Calculated formula: C40 H54 Al Cl N2 O Zr
• Title of publication: Mononuclear Aluminum Hydroxide for the Design of Well-Defined Homogeneous Catalysts
• Authors of publication: Guangcai Bai; Sanjay Singh; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 3449 - 3455
• a: 18.375 ± 0.002 Å
• b: 20.171 ± 0.004 Å
• c: 10.0747 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3734.1 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No