Information card for entry 7123755

Structure parameters

• Chemical name: P2PCoCONacrown
• Formula: C47 H73 Co Na O9 P3
• Calculated formula: C47 H73 Co Na O9 P3
• SMILES: C(#[O])[Co]12[P](c3ccccc3)(c3ccccc3[P]1(C(C)C)C(C)C)c1ccccc1[P]2(C(C)C)C(C)C.C1C[O]2CC[O]3CC[O]4CC[O]1[Na]156234[O]2CC[O]1CC[O]5CC[O]6CC2
• Title of publication: O-Functionalization of a Cobalt Carbonyl Generates a Terminal Cobalt Carbyne
• Authors of publication: Deegan, Meaghan M.; Peters, Jonas C.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 27.599 ± 0.003 Å
• b: 30.4 ± 0.005 Å
• c: 18.698 ± 0.002 Å
• α: 90°
• β: 132.65°
• γ: 90°
• Cell volume: 11538 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1527
• 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