Information card for entry 7123751

Structure parameters

• Chemical name: P2PCoCO
• Formula: C30.98 H41 Br0.02 Co O0.98 P3
• Calculated formula: C30.9808 H41 Br0.01925 Co O0.98075 P3
• 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: 10.843 ± 0.002 Å
• b: 16.079 ± 0.003 Å
• c: 17.991 ± 0.003 Å
• α: 109.036 ± 0.007°
• β: 92.528 ± 0.007°
• γ: 90.859 ± 0.008°
• Cell volume: 2960.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0309
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0678
• 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: Yes
• Has Fobs: No