Information card for entry 4067829

Structure parameters

• Formula: C71 H84 Al3 Cl5 N6
• Calculated formula: C71 H84 Al3 Cl5 N6
• SMILES: Cl[Al]12[N]([Al](Cl)(Cl)[N](=C(N1[Al](Cl)(Cl)[N](=C(c1ccccc1)N2)c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(C(C)C)cccc1C(C)C)=C(Nc1c(cccc1C(C)C)C(C)C)c1ccccc1.c1c(cccc1)C.c1(ccccc1)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: 14.8034 ± 0.0005 Å
• b: 15.4522 ± 0.0006 Å
• c: 17.9574 ± 0.0006 Å
• α: 105.641 ± 0.003°
• β: 108.308 ± 0.003°
• γ: 104.256 ± 0.003°
• Cell volume: 3500.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0818
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No