Information card for entry 4119306

Structure parameters

• Formula: C26 H18 Cr2 O6
• Calculated formula: C26 H18 Cr2 O6
• SMILES: [c]123[cH]4[Cr]5673([c]1([cH]7[cH]6[cH]45)C(=C(C2)C)C1=C(C[c]23[cH]4[cH]5[cH]6[cH]7[c]12[Cr]34567(C#[O])(C#[O])C#[O])C)(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: 23.165 ± 0.001 Å
• b: 7.513 ± 0.001 Å
• c: 13.761 ± 0.001 Å
• α: 90°
• β: 103.936 ± 0.001°
• γ: 90°
• Cell volume: 2324.5 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No