Information card for entry 7026525

Structure parameters

• Chemical name: mer-Oxodichloro(1,2-bis(diphenylphosphino)ethane) (methyldiphenylphosphine)tungsten(IV) Dichloromethane solvate
• Formula: C40 H39 Cl4 O P3 W
• Calculated formula: C40 H39 Cl4 O P3 W
• SMILES: [W]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)C)=O.C(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: 23.532 ± 0.002 Å
• b: 14.265 ± 0.001 Å
• c: 25.62 ± 0.002 Å
• α: 90°
• β: 105.896 ± 0.001°
• γ: 90°
• Cell volume: 8271.4 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No