Information card for entry 4110449

Structure parameters

• Formula: C40 H48 Cl5 N2 O P Sn
• Calculated formula: C40 H48 Cl5 N2 O P Sn
• SMILES: C12C(c3cccc4cccc1c34)=N(=[P+]=N=2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.C1CCC[O]1[Sn](Cl)(Cl)(Cl)(Cl)Cl
• Title of publication: Capture of Phosphorus(I) and Arsenic(I) Moieties by a 1,2-Bis(arylimino)acenaphthene (Aryl-BIAN) Ligand. A Case of Intramolecular Charge Transfer
• Authors of publication: Gregor Reeske; Clint R. Hoberg; Nicholas J. Hill; Alan H. Cowley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 2800 - 2801
• a: 13.189 ± 0.005 Å
• b: 22.335 ± 0.005 Å
• c: 14.637 ± 0.005 Å
• α: 90°
• β: 104.102 ± 0.005°
• γ: 90°
• Cell volume: 4182 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No