Information card for entry 4111521

Structure parameters

• Formula: C41 H57 Al N2 O Zr
• Calculated formula: C41 H57 Al N2 O Zr
• SMILES: [Al]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(C)O[Zr]12345678(C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 9.968 ± 0.005 Å
• b: 10.314 ± 0.008 Å
• c: 19.684 ± 0.016 Å
• α: 87.99 ± 0.07°
• β: 87.06 ± 0.04°
• γ: 68.49 ± 0.05°
• Cell volume: 1880 ± 2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No