Information card for entry 4121194

Structure parameters

• Formula: C23 H23 Cr N O3 Pd
• Calculated formula: C23 H23 Cr N O3 Pd
• SMILES: [Pd]12(C(=O)[Cr]34567([c]89[c]3([cH]7[cH]6[cH]5[cH]49)C=C(C18)C)(C#[O])C#[O])[N]([C@H](c1c2cccc1)C)(C)C
• Title of publication: Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.
• Authors of publication: Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 17839 - 17852
• a: 9.503 ± 0.001 Å
• b: 13.657 ± 0.001 Å
• c: 15.772 ± 0.001 Å
• α: 90°
• β: 90.096 ± 0.001°
• γ: 90°
• Cell volume: 2046.9 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No