Information card for entry 7112388

Structure parameters

• Formula: C22 H31 Al N2
• Calculated formula: C22 H31 Al N2
• SMILES: [AlH3]=C1N(c2c(C)cc(cc2C)C)CCCN1c1c(C)cc(cc1C)C
• Title of publication: Al-H σ-bond coordination: expanded ring carbene adducts of AlH3 as neutral bi- and tri-functional donor ligands.
• Authors of publication: Abdalla, Joseph A. B.; Riddlestone, Ian M.; Tirfoin, Remi; Phillips, Nicholas; Bates, Joshua I.; Aldridge, Simon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 49
• Pages of publication: 5547 - 5549
• a: 8.1095 ± 0.0001 Å
• b: 15.6301 ± 0.0003 Å
• c: 16.3634 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2074.1 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P c 21 n
• Hall space group symbol: P -2n -2ac
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9516
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No