Information card for entry 4318945

Structure parameters

• Formula: C36 H53 Al N2 O2
• Calculated formula: C36 H53 Al N2 O2
• SMILES: [Al]12([N](=C(C=C(O1)C)C)c1c(cccc1C(C)C)C(C)C)([N](=C(C=C(O2)C)C)c1c(cccc1C(C)C)C(C)C)CC
• Title of publication: Four- and Five-Coordinate Aluminum Ketiminate Complexes: Synthesis, Characterization, and Ring-Opening Polymerization
• Authors of publication: Yu, Ru-Ching; Hung, Chen-Hsiung; Huang, Jui-Hsien; Lee, Horng-Yi; Chen, Jwu-Ting
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 6450 - 6455
• a: 10.7606 ± 0.0007 Å
• b: 12.3944 ± 0.0008 Å
• c: 14.6146 ± 0.001 Å
• α: 70.103 ± 0.001°
• β: 85.324 ± 0.002°
• γ: 71.66 ± 0.001°
• Cell volume: 1739 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No