Information card for entry 4119303

Structure parameters

• Formula: C16 H14 Cr O3
• Calculated formula: C16 H14 Cr O3
• SMILES: [c]123[c]4([cH]5[cH]6[cH]7[cH]1[Cr]34567(C#[O])(C#[O])C#[O])CC(=C2CC=C)C
• 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: 8.6801 ± 0.0004 Å
• b: 13.3358 ± 0.0007 Å
• c: 13.546 ± 0.0005 Å
• α: 90°
• β: 116.027 ± 0.002°
• γ: 90°
• Cell volume: 1409.01 ± 0.11 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: 0.0551
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No