Information card for entry 4067831

Structure parameters

• Formula: C13 H12 Al Cl3 N2
• Calculated formula: C13 H12 Al Cl3 N2
• SMILES: Cl[Al](Cl)(Cl)[NH]=C(c1ccccc1)Nc1ccccc1
• 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: 8.4839 ± 0.0009 Å
• b: 10.0382 ± 0.0008 Å
• c: 10.3193 ± 0.0009 Å
• α: 103.036 ± 0.007°
• β: 114.029 ± 0.009°
• γ: 97.801 ± 0.008°
• Cell volume: 755.97 ± 0.14 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: 0.0986
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No