Information card for entry 7717292

Structure parameters

• Formula: C68 H84 B4 Cl8 F20 N4
• Calculated formula: C68 H84 B4 Cl8 F20 N4
• Title of publication: Unprecedented C-F bond cleavage in perfluoronaphthalene during cobaltocene reduction.
• Authors of publication: Kundu, Gargi; Pramanik, Debjit; Dash, Soumya Ranjan; Kumar, Ravi; Sangole, Mayur; Tothadi, Srinu; Ghosh, Aryya; Vanka, Kumar; Singh, Kirandeep; Sen, Sakya S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 44
• Pages of publication: 17789 - 17793
• a: 10.5204 ± 0.0008 Å
• b: 18.2379 ± 0.0015 Å
• c: 21.2226 ± 0.0015 Å
• α: 90°
• β: 102.566 ± 0.002°
• γ: 90°
• Cell volume: 3974.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.1121
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.2566
• Weighted residual factors for all reflections included in the refinement: 0.266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No