Information card for entry 7117148

Structure parameters

• Formula: C48 H33 Al Cr F36 O6 P
• Calculated formula: C48 H33 Al Cr F36 O6 P
• 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: 19.1442 ± 0.0012 Å
• b: 34.536 ± 0.002 Å
• c: 19.5979 ± 0.0012 Å
• α: 90°
• β: 119.074 ± 0.001°
• γ: 90°
• Cell volume: 11324.7 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No