Information card for entry 4119302

Structure parameters

• Formula: C26 H18 Cr2 O6
• Calculated formula: C26 H18 Cr2 O6
• SMILES: [c]123[cH]4[Cr]5672([cH]([cH]7[cH]46)[c]15[C@@H](C(=C3)C)[C@@H]1C(=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].[c]123[cH]4[Cr]5672([cH]([cH]7[cH]46)[c]15[C@H](C(=C3)C)[C@H]1C(=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: 17.686 ± 0.001 Å
• b: 6.539 ± 0.001 Å
• c: 19.146 ± 0.001 Å
• α: 90°
• β: 91.351 ± 0.001°
• γ: 90°
• Cell volume: 2213.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0581
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No