Information card for entry 4083161

Structure parameters

• Formula: C48 H36 Cl2 P2 Sn
• Calculated formula: C48 H36 Cl2 P2 Sn
• SMILES: C1Cc2c3c1ccc(c3c(P(c1ccccc1)c1ccccc1)cc2)[Sn](Cl)(c1ccc2CCc3c2c1c(P(c1ccccc1)c1ccccc1)cc3)Cl
• 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: 13.628 ± 0.008 Å
• b: 16.015 ± 0.008 Å
• c: 17.472 ± 0.011 Å
• α: 90°
• β: 99.95 ± 0.08°
• γ: 90°
• Cell volume: 3756 ± 4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No