Information card for entry 7101597

Structure parameters

• Formula: C37 H49 Al Cl6 N2 P
• Calculated formula: C37 H49 Al Cl6 N2 P
• SMILES: CC1=C(C(CP(c2ccccc2)N1c1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C)C.C(Cl)Cl.[Al](Cl)(Cl)(Cl)[Cl-]
• Title of publication: N,C-chelated beta-diketiminato phosphenium cations
• Authors of publication: L.Zheng; Gregor Reeske; Jennifer A. Moore; Alan H. Cowley
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 48
• a: 13.64 ± 0.005 Å
• b: 13.086 ± 0.005 Å
• c: 23.778 ± 0.005 Å
• α: 90°
• β: 97.133 ± 0.005°
• γ: 90°
• Cell volume: 4211 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.2305
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No