Information card for entry 4084577

Structure parameters

• Formula: C54 H43 P3 Sn
• Calculated formula: C54 H43 P3 Sn
• SMILES: [SnH]123([P](c4c1cccc4)(c1ccccc1)c1ccccc1)([P](c1c2cccc1)(c1ccccc1)c1ccccc1)[P](c1c3cccc1)(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: 10.651 ± 0.003 Å
• b: 13.376 ± 0.004 Å
• c: 16.021 ± 0.005 Å
• α: 77.994 ± 0.004°
• β: 89.069 ± 0.006°
• γ: 88.451 ± 0.006°
• Cell volume: 2231.6 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0362
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No