Information card for entry 7103646

Structure parameters

• Formula: C35 H46 Cl N2 P
• Calculated formula: C35 H46 Cl N2 P
• SMILES: ClP(C(=C(Nc1c(cccc1C(C)C)C(C)C)C)C(=N\c1c(cccc1C(C)C)C(C)C)\C)c1ccccc1
• Title of publication: Synthesis, structure and reductive dechlorination of the C-centred phosphorus(III) b-diketiminate PCl(Ph)L [L = C{C(Me)NC6H3Pri2-2,6}{C(Me)NHC6H3Pri2-2,6}]
• Authors of publication: Michael F. Lappert; Peter B. Hitchcock; Jacek E. Nyez
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 14.5108 ± 0.0008 Å
• b: 25.9696 ± 0.0013 Å
• c: 8.4582 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3187.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No