Information card for entry 7026523

Structure parameters

• Chemical name: cis,cis,trans-Dichloro(oxo)carbonylbis(methyldiphenyl phosphine)tungsten(IV) Hemibenzene solvate
• Formula: C30 H29 Cl2 O2 P2 W
• Calculated formula: C30 H29 Cl2 O2 P2 W
• 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: 9.5417 ± 0.0006 Å
• b: 14.6428 ± 0.0009 Å
• c: 20.463 ± 0.001 Å
• α: 90°
• β: 90.775 ± 0.001°
• γ: 90°
• Cell volume: 2858.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No