Information card for entry 7117355

Structure parameters

• Formula: C37 H30 Al Cl6 P3
• Calculated formula: C37 H30 Al Cl6 P3
• SMILES: [Al](Cl)(Cl)(Cl)[Cl-].C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)([P+](c1ccccc1)(c1ccccc1)c1ccccc1)P(Cl)Cl
• Title of publication: Extending the chemistry of carbones: P-N bond cleavage via an SN2'-like mechanism
• Authors of publication: Chitra Gurnani; Nemanja Dordevic; Senthilkumar Muthaiah; Dusan Dimic; Rakesh Ganguly; Milena Petkovic; Dragoslav Vidovic
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10762
• a: 10.7482 ± 0.0003 Å
• b: 11.7146 ± 0.0003 Å
• c: 16.2326 ± 0.0005 Å
• α: 108.178 ± 0.0013°
• β: 100.829 ± 0.0013°
• γ: 99.8863 ± 0.0013°
• Cell volume: 1848.28 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No