Information card for entry 7717291

Structure parameters

• Formula: C68 H88 Cl8 F12 N4
• Calculated formula: C68 H88 Cl8 F12 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: 14.6927 ± 0.0008 Å
• b: 18.5978 ± 0.0011 Å
• c: 14.5593 ± 0.0008 Å
• α: 90°
• β: 112.463 ± 0.002°
• γ: 90°
• Cell volume: 3676.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No