Information card for entry 4328242

Structure parameters

• Formula: C54 H75 Co F6 K
• Calculated formula: C54 H75 Co F6 K
• SMILES: [Co](F)(c1c(c(cc(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(F)c(F)c(F)c(F)c1F.[K+].CCCCCC
• Title of publication: Reduction of Terphenyl Co(II) Halide Derivatives in the Presence of Arenes: Insertion of Co(I) into a C-F Bond
• Authors of publication: Hao Lei; James C. Fettinger; Philip P. Power
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1821 - 1826
• a: 16.0295 ± 0.0009 Å
• b: 10.4041 ± 0.0006 Å
• c: 30.7218 ± 0.0018 Å
• α: 90°
• β: 99.369 ± 0.001°
• γ: 90°
• Cell volume: 5055.2 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.1057
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No