Information card for entry 7023700

Structure parameters

• Formula: C42 H53 Al N2
• Calculated formula: C42 H53 Al N2
• SMILES: [Al](c1n(c2c(C(C)C)cccc2C(C)C)c([n+](c2c(cccc2C(C)C)C(C)C)c1c1ccccc1)c1ccccc1)(C)(C)C
• Title of publication: Abnormal N-heterocyclic carbene main group organometallic chemistry: a debut to the homogeneous catalysis.
• Authors of publication: Sen, Tamal K.; Sau, Samaresh Chandra; Mukherjee, Arup; Hota, Pradip Kumar; Mandal, Swadhin K.; Maity, Bholanath; Koley, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 39
• Pages of publication: 14253 - 14260
• a: 9.871 ± 0.002 Å
• b: 10.967 ± 0.002 Å
• c: 18.786 ± 0.004 Å
• α: 77.611 ± 0.004°
• β: 76.658 ± 0.004°
• γ: 75.05 ± 0.004°
• Cell volume: 1885.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No