Information card for entry 1555963

Structure parameters

• Formula: C66 H5 Co O
• Calculated formula: C66 H5 Co O
• SMILES: C([Co]12345([c]67[c]81c1c9c%10c6c6c%11c7c7c%12c8c8c1c1c%13c9c9c%10c%10c6c6c%14c%11c%11c7c7c%12c%12c8c8c1c1c%13c%13c9c9c%10c6c6c%10c%14c%11c%11c7c7c%12c8c8c1c1c%13c9c6c6c%10c%11c7c8c16)[cH]1[cH]5[cH]4[cH]3[cH]21)#[O]
• Title of publication: Co(I)-Mediated Removal of Addends on the C₆₀ Cage and Formation of the Monovalent Cobalt Complex CpCo(CO)(η²-C₆₀).
• Authors of publication: Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 6348 - 6351
• a: 19.3264 ± 0.0012 Å
• b: 16.2685 ± 0.001 Å
• c: 9.8756 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3105 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No