Information card for entry 4083824

Structure parameters

• Formula: C22 H56 B2 P2 Si2 Sn
• Calculated formula: C22 H56 B2 P2 Si2 Sn
• SMILES: [Sn]1[C@]([P]([BH3])(CCC)CCC)([Si](C)(C)C)CC[C@@]1([P]([BH3])(CCC)CCC)[Si](C)(C)C.[Sn]1[C@@]([P]([BH3])(CCC)CCC)([Si](C)(C)C)CC[C@]1([P]([BH3])(CCC)CCC)[Si](C)(C)C
• 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: 11.3845 ± 0.0008 Å
• b: 17.4859 ± 0.0012 Å
• c: 16.5863 ± 0.0011 Å
• α: 90°
• β: 106.129 ± 0.001°
• γ: 90°
• Cell volume: 3171.8 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0222
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.6898 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No