Information card for entry 7026526

Structure parameters

• Chemical name: trans-Tetrachlprobis(trimethylphosphine)tungsten(IV)
• Formula: C6 H18 Cl4 P2 W
• Calculated formula: C6 H18 Cl4 P2 W
• SMILES: C[P](C)(C)[W]([P](C)(C)C)(Cl)(Cl)(Cl)Cl
• 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: 6.5351 ± 0.0006 Å
• b: 8.4615 ± 0.0008 Å
• c: 13.3258 ± 0.0013 Å
• α: 90°
• β: 99.717 ± 0.001°
• γ: 90°
• Cell volume: 726.3 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No