Information card for entry 7003984

Structure parameters

• Formula: C45 H41 Al N P
• Calculated formula: C45 H41 Al N P
• SMILES: [Al](N(c1c(cccc1)c1ccccc1)c1c(cccc1)c1ccccc1)(C)(C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Biphenylamide ligand complexes of Li and Al: hemilabile arene donors?
• Authors of publication: Dureen, Meghan A.; Stephan, Douglas W.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 35
• Pages of publication: 4723 - 4731
• a: 9.8623 ± 0.0011 Å
• b: 19.289 ± 0.002 Å
• c: 19.463 ± 0.002 Å
• α: 90°
• β: 94.741 ± 0.002°
• γ: 90°
• Cell volume: 3689.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No