Information card for entry 4121199

Structure parameters

• Formula: C13 H10 Cr O3
• Calculated formula: C13 H10 Cr O3
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]7[c]1(C=C(C2)C)[Cr]34567(C#[O])(C#[O])C#[O]
• 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: 8.5819 ± 0.0003 Å
• b: 10.7371 ± 0.0004 Å
• c: 12.1553 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1120.05 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No