Information card for entry 4119300

Structure parameters

• Formula: C22 H18 Cr O3 Pd
• Calculated formula: C22 H18 Cr O3 Pd
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]7[c]81C(C(=C2)C)[Pd]129(C(=O)[Cr]3456789(C#[O])C#[O])C[CH]1=[CH]2c1ccccc1
• 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: 17.4301 ± 0.0014 Å
• b: 6.2255 ± 0.0004 Å
• c: 17.161 ± 0.0011 Å
• α: 90°
• β: 93.217 ± 0.002°
• γ: 90°
• Cell volume: 1859.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1228
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No