Information card for entry 7032814

Structure parameters

• Formula: C24 H20 Cl4 Ga P S
• Calculated formula: C24 H20 Cl4 Ga P S
• SMILES: [P+](Sc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Ga](Cl)([Cl-])(Cl)Cl
• Title of publication: Evidence for a SN2-type pathway in the exchange of phosphines at a [PhSe]+ centre.
• Authors of publication: Forfar, Laura C.; Green, Michael; Haddow, Mairi F.; Hussein, Sharifa; Lynam, Jason M.; Slattery, John M.; Russell, Christopher A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 110 - 118
• a: 9.6073 ± 0.0002 Å
• b: 13.5295 ± 0.0003 Å
• c: 10.0002 ± 0.0002 Å
• α: 90°
• β: 102.206 ± 0.001°
• γ: 90°
• Cell volume: 1270.46 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0169
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No