Information card for entry 7004810

Structure parameters

• Common name: (AlCl2(MesNC(=IMes)C(H)NMes))
• Formula: C41 H47 Al Cl2 N4
• Calculated formula: C41 H47 Al Cl2 N4
• SMILES: Cl[Al]1(Cl)N(C(C=[N]1c1c(cc(cc1C)C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: The synthesis of a dichloroalane complex and its reaction with an α-diimine
• Authors of publication: Alexander, Sean G.; Cole, Marcus L.; Hilder, Matthias; Morris, Jonathan C.; Patrick, Joanna B.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 45
• Pages of publication: 6361 - 6363
• a: 10.081 ± 0.0002 Å
• b: 18.3266 ± 0.0004 Å
• c: 21.1938 ± 0.0004 Å
• α: 90°
• β: 91.942 ± 0.001°
• γ: 90°
• Cell volume: 3913.32 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1932
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No