Information card for entry 1559241

Structure parameters

• Formula: C15 H8 Co F18 O4 P
• Calculated formula: C15 H8 Co F18 O4 P
• SMILES: C(C(F)(F)F)(C(F)(F)F)O[P]([Co]1234(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
• Title of publication: CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity
• Authors of publication: Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 23
• Pages of publication: 8005 - 8014
• a: 8.808 ± 0.0009 Å
• b: 11.2727 ± 0.0011 Å
• c: 11.4608 ± 0.0011 Å
• α: 87.2767 ± 0.0016°
• β: 86.0751 ± 0.0016°
• γ: 81.5105 ± 0.0016°
• Cell volume: 1122.03 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No