Information card for entry 7010735

Structure parameters

• Chemical name: Dimethyl(2-diphenylphosphinoethyl-C,O)(thiocyanato-N)stannane
• Formula: C17 H20 N O P S Sn
• Calculated formula: C17 H20 N O P S Sn
• SMILES: [Sn]1([O]=P(CC1)(c1ccccc1)c1ccccc1)(C)(C)N=C=S
• 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: 10.9789 ± 0.0004 Å
• b: 12.3397 ± 0.0005 Å
• c: 15.0045 ± 0.0006 Å
• α: 86.385 ± 0.001°
• β: 82.308 ± 0.001°
• γ: 78.483 ± 0.001°
• Cell volume: 1972.52 ± 0.13 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No