Information card for entry 4083158

Structure parameters

• Formula: C36 H28 Cl P Sn
• Calculated formula: C36 H28 Cl P Sn
• SMILES: [Sn]1(Cl)([P](c2ccc3CCc4ccc1c2c34)(c1ccccc1)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: 12.229 ± 0.002 Å
• b: 11.539 ± 0.002 Å
• c: 21.523 ± 0.004 Å
• α: 90°
• β: 105.37 ± 0.03°
• γ: 90°
• Cell volume: 2928.5 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0263
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No