Information card for entry 7117149

Structure parameters

• Formula: C32 H33 Cr O2 P
• Calculated formula: C32 H33 Cr O2 P
• SMILES: [Cr]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([c]6([c]3([c]2([c]1([c]4(C)[c]56C)C)C)C)C)(C#[O])C#[O]
• Title of publication: The long-sought seventeen-electron radical [(C6Me6)Cr(CO)3]+: isolation, crystal structure and substitution reaction
• Authors of publication: Wenqing Wang; Xingyong Wang; Zaichao Zhang; Ningning Yuan; Xinping Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8410
• a: 8.649 ± 0.004 Å
• b: 9.593 ± 0.004 Å
• c: 17.771 ± 0.008 Å
• α: 90.671 ± 0.007°
• β: 99.551 ± 0.007°
• γ: 116.355 ± 0.007°
• Cell volume: 1296.8 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1916
• Weighted residual factors for all reflections included in the refinement: 0.2212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No