Information card for entry 7010732

Structure parameters

• Chemical name: Bromodimethyl(2-diphenylphosphinoethyl-C,O)stannane
• Formula: C16 H20 Br O P Sn
• Calculated formula: C16 H20 Br O P Sn
• SMILES: [Sn]1(Br)([O]=P(CC1)(c1ccccc1)c1ccccc1)(C)C
• Title of publication: Monomer‒polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media
• Authors of publication: Harrison, William T. A.; Howie, R. Alan; Munro, Craig M.; Wardell, James L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 18
• Pages of publication: 2593
• a: 9.815 ± 0.0004 Å
• b: 15.2192 ± 0.0007 Å
• c: 12.8056 ± 0.0006 Å
• α: 90°
• β: 109.608 ± 0.001°
• γ: 90°
• Cell volume: 1801.93 ± 0.14 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No