Information card for entry 4067826

Structure parameters

• Formula: C96.5 H122 Al5 N10
• Calculated formula: C93.5 H115 Al5 N10
• SMILES: [Al]123[N]4[Al]5([N]([Al](N(C(=[N]5[Al](N(C=4c4ccc(cc4)C(C)(C)C)c4ccccc4)(C)C)c4ccc(cc4)C(C)(C)C)c4ccccc4)(C)C)=C(N1c1ccccc1)c1ccc(cc1)C(C)(C)C)N(C(=[N]2[Al](N(C(=[N]3)c1ccc(C(C)(C)C)cc1)c1ccccc1)(C)C)c1ccc(cc1)C(C)(C)C)c1ccccc1.CCCCC
• 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: 15.0411 ± 0.0004 Å
• b: 15.6755 ± 0.0005 Å
• c: 21.7746 ± 0.0006 Å
• α: 89.763 ± 0.002°
• β: 77.295 ± 0.002°
• γ: 87.019 ± 0.002°
• Cell volume: 5001.3 ± 0.3 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: 0.1221
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.2393
• 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: Yes
• Has Fobs: No