Information card for entry 4068983

Structure parameters

• Formula: C22 H62 B2 O P2 Si4 Sn
• Calculated formula: C18 H52 B2 P2 Si4 Sn
• SMILES: C[Si](C)([C@@]1([Sn][C@@]([P]([BH3])(C)C)([Si](C)(C)C)[Si](C)(C)CC[Si]1(C)C)[P]([BH3])(C)C)C.C[Si](C)([C@]1([Sn][C@]([P]([BH3])(C)C)([Si](C)(C)C)[Si](C)(C)CC[Si]1(C)C)[P]([BH3])(C)C)C
• Title of publication: Seven-Membered Cyclic Dialkylstannylene and -Plumbylene Compounds Stabilized by Agostic-type B−H···E Interactions [E = Sn, Pb]
• Authors of publication: Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2211
• a: 16.22 ± 0.004 Å
• b: 20.048 ± 0.007 Å
• c: 21.707 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7059 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No