Information card for entry 7032817

Structure parameters

• Formula: C24 H20 Cl4 Ga P Se
• Calculated formula: C24 H20 Cl4 Ga P Se
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)[Se]c1ccccc1.Cl[Ga](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: 9.6355 ± 0.0004 Å
• b: 13.5694 ± 0.0005 Å
• c: 10.0151 ± 0.0004 Å
• α: 90°
• β: 102.248 ± 0.002°
• γ: 90°
• Cell volume: 1279.65 ± 0.09 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: 0.0502
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No