Information card for entry 4119304

Structure parameters

• Formula: C17 H16 Cr O3
• Calculated formula: C17 H16 Cr O3
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]7[c]1(C(=C(C2)C)CC(=C)C)[Cr]34567(C#[O])(C#[O])C#[O]
• Title of publication: Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions
• Authors of publication: Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 1715 - 1718
• a: 8.5384 ± 0.0002 Å
• b: 13.8731 ± 0.0005 Å
• c: 13.9991 ± 0.0004 Å
• α: 90°
• β: 113.786 ± 0.001°
• γ: 90°
• Cell volume: 1517.4 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0521
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No