Information card for entry 7717293

Structure parameters

• Formula: C93 H117 Co2 F4 N4
• Calculated formula: C93 H117 Co2 F4 N4
• Title of publication: Unprecedented C−F bond cleavage from perfluoronaphthalene during cobaltocene reduction
• Authors of publication: Kundu, Gargi; Pramanik, Debjit; Dash, Soumya Ranjan; Kumar, Ravi; Sangole, Mayur P.; Tothadi, Srinu; Ghosh, Aryya; Vanka, Kumar; Singh, Kirandeep; Sen, Sakya Singha
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 14.0847 ± 0.0015 Å
• b: 14.5294 ± 0.0016 Å
• c: 21.074 ± 0.002 Å
• α: 92.13 ± 0.004°
• β: 99.925 ± 0.003°
• γ: 107.864 ± 0.003°
• Cell volume: 4024.6 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0673
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No