Information card for entry 4083156

Structure parameters

• Formula: C36 H45 P Sn
• Calculated formula: C36 H45 P Sn
• SMILES: [Sn](c1ccc2CCc3c2c1c(P(c1ccccc1)c1ccccc1)cc3)(CCCC)(CCCC)CCCC
• 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: 9.224 ± 0.004 Å
• b: 9.483 ± 0.003 Å
• c: 19.546 ± 0.006 Å
• α: 88.48 ± 0.01°
• β: 79.07 ± 0.03°
• γ: 73.21 ± 0.03°
• Cell volume: 1606.4 ± 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: 0.0606
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No