Information card for entry 4087591

Structure parameters

• Formula: C29 H30 Cr N2 O3 Pd
• Calculated formula: C29 H30 Cr N2 O3 Pd
• SMILES: c12[Pd]34([CH](=[CH]3C4)[c]34[cH]5[cH]6[cH]7[cH]8[cH]3[Cr]45678(C#[O])(C#[O])C#[O])[n]3c(c2ccc(c1)N(C)C)cc(cc3)C(C)(C)C
• 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: 29.849 ± 0.003 Å
• b: 12.0939 ± 0.0013 Å
• c: 17.43 ± 0.0018 Å
• α: 90°
• β: 114.094 ± 0.002°
• γ: 90°
• Cell volume: 5743.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1433
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No