Information card for entry 4083825

Structure parameters

• Formula: C22 H56 B2 P2 Si2 Sn
• Calculated formula: C22 H56 B2 P2 Si2 Sn
• SMILES: [Sn]12[H][BH2][P]([C@]1([Si](C)(C)C)CC[C@@]2([P]([BH3])(CCC)CCC)[Si](C)(C)C)(CCC)CCC.[Sn]12[H][BH2][P]([C@@]1([Si](C)(C)C)CC[C@]2([P]([BH3])(CCC)CCC)[Si](C)(C)C)(CCC)CCC
• Title of publication: Stabilization of a Dialkylstannylene by Unusual B‒H···Sn γ-Agostic-Type Interactions. A Structural, Spectroscopic, and DFT Study
• Authors of publication: Izod, Keith; McFarlane, William; Tyson, Brent V.; Carr, Ian; Clegg, William; Harrington, Ross W.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1135 - 1143
• a: 7.0626 ± 0.0004 Å
• b: 11.9388 ± 0.0006 Å
• c: 37.699 ± 0.002 Å
• α: 90°
• β: 93.165 ± 0.002°
• γ: 90°
• Cell volume: 3173.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0571
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No