Information card for entry 4087595

Structure parameters

• Formula: C24 H18 Cr2 O6
• Calculated formula: C24 H18 Cr2 O6
• SMILES: C(/C=C/[c]12[cH]3[cH]4[cH]5[Cr]6134(C#[O])(C#[O])(C#[O])[cH]2[cH]56)C/C=C/[c]12[cH]3[cH]4[cH]5[cH]6[cH]1[Cr]23456(C#[O])(C#[O])C#[O]
• Title of publication: Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation
• Authors of publication: Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 3055
• a: 11.785 ± 0.001 Å
• b: 7.1 ± 0.001 Å
• c: 12.761 ± 0.001 Å
• α: 90°
• β: 95.859 ± 0.001°
• γ: 90°
• Cell volume: 1062.18 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.1499
• Residual factor for significantly intense reflections: 0.1337
• Weighted residual factors for significantly intense reflections: 0.356
• Weighted residual factors for all reflections included in the refinement: 0.3651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No