Information card for entry 4084576

Structure parameters

• Formula: C54.5 H43 Cl F P3 Sn
• Calculated formula: C54 H42 F P3 Sn
• SMILES: c1(ccccc1P(c1ccccc1)c1ccccc1)[Sn](F)(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
• Title of publication: Can One σ*-Antibonding Orbital Interact with Six Electrons of Lewis Bases? Analysis of a Multiply Interacting σ* Orbital
• Authors of publication: Kameo, Hajime; Kawamoto, Tatsuya; Sakaki, Shigeyoshi; Nakazawa, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 5960
• a: 13.0779 ± 0.0003 Å
• b: 13.0779 ± 0.0003 Å
• c: 16.1921 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2398.33 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No