Information card for entry 4067822

Structure parameters

• Formula: C63.5 H96 Al4 N8
• Calculated formula: C63 H95 Al4 N8
• SMILES: [Al]12(N(c4c(C(C)C)cccc4C(C)C)C(=[N]2[Al]2(N(c4c(cccc4C(C)C)C(C)C)C(=[N]2[Al]2([N]([Al]4([N]1=C(N4c1c(C(C)C)cccc1C(C)C)C)C)C(=[N]2c1c(C(C)C)cccc1C(C)C)C)C)C)C)C)C.c1ccccc1
• Title of publication: Reactions of N-Monosubstituted Amidines with AlMe3and AlMeCl2: Formation of Fused Triazaalane Heterocycles
• Authors of publication: Maheswari, K.; Reddy, N. Dastagiri
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 197
• a: 18.5489 ± 0.0003 Å
• b: 18.6181 ± 0.0003 Å
• c: 21.6897 ± 0.0004 Å
• α: 90.704 ± 0.002°
• β: 105.772 ± 0.002°
• γ: 103.897 ± 0.002°
• Cell volume: 6973.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No