Information card for entry 4083157

Structure parameters

• Formula: C42 H33 P Sn
• Calculated formula: C42 H33 P Sn
• SMILES: [Sn](c1ccc2CCc3c2c1c(P(c1ccccc1)c1ccccc1)cc3)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions
• Authors of publication: Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2409
• a: 10.71 ± 0.003 Å
• b: 11.639 ± 0.004 Å
• c: 13.742 ± 0.005 Å
• α: 78.896 ± 0.007°
• β: 78.24 ± 0.02°
• γ: 88.341 ± 0.012°
• Cell volume: 1645.5 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No