Information card for entry 7026528

Structure parameters

• Common name: Bis(diphenylmethylphosphine)tungsten(IV) tetrachloride
• Formula: C26 H26 Cl4 P2 W
• Calculated formula: C26 H26 Cl4 P2 W
• SMILES: c1(ccccc1)[P]([W]([P](C)(c1ccccc1)c1ccccc1)(Cl)(Cl)(Cl)Cl)(C)c1ccccc1
• Title of publication: A tungsten-mediated closed cycle of reactivity for the reduction of CO(2) to CO.
• Authors of publication: Jayarathne, Upul; Chandrasekaran, Perumalreddy; Jacobsen, Heiko; Mague, Joel T.; Donahue, James P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9662 - 9671
• a: 8.86 ± 0.003 Å
• b: 9.491 ± 0.003 Å
• c: 9.765 ± 0.003 Å
• α: 66.983 ± 0.004°
• β: 89.51 ± 0.004°
• γ: 63.041 ± 0.004°
• Cell volume: 659.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0152
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No