Information card for entry 4067827

Structure parameters

• Formula: C87 H90 Al6 N10
• Calculated formula: C87 H90 Al6 N10
• SMILES: [Al]12([N]34[Al]5([N](c6ccccc6)=C(N2[Al](C)(C)[N](c2ccccc2)=C(N1[Al](N1[Al]3(N([Al]([N](=C1c1ccccc1)c1ccccc1)(C)C)C(=[N]5c1ccccc1)c1ccccc1)C)(C)[N](=C4c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C)C.c1c(cccc1)C.c1c(cccc1)C
• 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: 42.199 ± 0.0012 Å
• b: 14.019 ± 0.0003 Å
• c: 27.7014 ± 0.0008 Å
• α: 90°
• β: 101.977 ± 0.003°
• γ: 90°
• Cell volume: 16031.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No