Information card for entry 2005471

Structure parameters

• Chemical name: Dichloro-bis(diphenylmethylphosphine)- (η^2^-3,3-diphenylcyclopropene)-oxo-tungsten
• Formula: C41 H38 Cl2 O P2 W
• Calculated formula: C41 H38 Cl2 O P2 W
• SMILES: [W]1(Cl)(Cl)([P](C)(c2ccccc2)c2ccccc2)([P](C)(c2ccccc2)c2ccccc2)(=O)[CH]2=[CH]1C2(c1ccccc1)c1ccccc1
• Title of publication: A Diphenylcyclopropene Complex of Tungsten, [WCl~2~O(PMePh~2~)~2~(η^2^-3,3-diphenylcyclopropene)], Precursor to a Tungsten‒Oxo‒Olefin Metathesis Catalyst
• Authors of publication: Day, M. W.; Wilhelm, T. E.; Grubbs, R. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2460 - 2462
• a: 18.494 ± 0.008 Å
• b: 9.857 ± 0.003 Å
• c: 20.886 ± 0.008 Å
• α: 90°
• β: 100.83 ± 0.03°
• γ: 90°
• Cell volume: 3740 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0658
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.062
• Goodness-of-fit parameter for all reflections: 1.502
• Goodness-of-fit parameter for significantly intense reflections: 1.47
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No