Information card for entry 4066080

Structure parameters

• Formula: C43 H76 Al N5 Si2
• Calculated formula: C43 H76 Al N5 Si2
• SMILES: [Al]1([N](=C(N1C1CCCCC1)N([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1)(Nc1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis, Characterization, and Reactivity of Aluminum Alkyl/Amide Complexes Supported by Guanidinate and Monoanionic OCO-Pincer Ligands
• Authors of publication: Koller, Jürgen; Bergman, Robert G.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3350
• a: 9.9516 ± 0.0004 Å
• b: 20.81 ± 0.0008 Å
• c: 21.9195 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4539.4 ± 0.3 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No