Information card for entry 7026533

Structure parameters

• Chemical name: trans-Trichloro(dimethylamido)bis(methyldiphenylphosphine) tungsten(IV)
• Formula: C28 H32 Cl3 N P2 W
• Calculated formula: C28 H32 Cl3 N P2 W
• SMILES: c1(ccccc1)[P](c1ccccc1)([W](N(C)C)(Cl)(Cl)([P](c1ccccc1)(c1ccccc1)C)Cl)C
• 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: 13.8088 ± 0.0008 Å
• b: 13.2473 ± 0.0008 Å
• c: 16.0074 ± 0.0009 Å
• α: 90°
• β: 93.997 ± 0.001°
• γ: 90°
• Cell volume: 2921.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0192
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No