Information card for entry 7026532

Structure parameters

• Chemical name: Bis(η^5^-pentamethylcyclopentadienyl)cobalt(II) Pentachloro(diphenylmethylphosphine)tungstate(IV)
• Formula: C33 H43 Cl5 Co P W
• Calculated formula: C33 H43 Cl5 Co P W
• SMILES: [W](Cl)(Cl)(Cl)(Cl)(Cl)[P](c1ccccc1)(c1ccccc1)C.[Co]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)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: 9.6543 ± 0.0011 Å
• b: 10.1624 ± 0.0012 Å
• c: 17.949 ± 0.002 Å
• α: 80.677 ± 0.002°
• β: 80.642 ± 0.002°
• γ: 89.713 ± 0.002°
• Cell volume: 1714.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No