Information card for entry 7120321

Structure parameters

• Formula: C29 H45 Al Cl N2 P
• Calculated formula: C29 H45 Al Cl N2 P
• SMILES: [PH]([Al](Cl)(C(C)(C)C)C(C)(C)C)=C1N(c2c(C)cc(cc2C)C)CCN1c1c(cc(cc1C)C)C
• Title of publication: An NHC‒phosphinidenyl as a synthon for new group 13/15 compounds
• Authors of publication: Lemp, Otfried; Balmer, Markus; Reiter, Kevin; Weigend, Florian; von Hänisch, Carsten
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.604 ± 0.0006 Å
• b: 10.8306 ± 0.0007 Å
• c: 16.4507 ± 0.001 Å
• α: 83.758 ± 0.002°
• β: 87.788 ± 0.002°
• γ: 68.557 ± 0.002°
• Cell volume: 1583.27 ± 0.17 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 114.99 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No