Information card for entry 7123749

Structure parameters

• Chemical name: P2PCoBr
• Formula: C30 H41 Br Co P3
• Calculated formula: C30 H41 Br Co 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: 9.4625 ± 0.0005 Å
• b: 9.5168 ± 0.0005 Å
• c: 17.7628 ± 0.001 Å
• α: 100.843 ± 0.002°
• β: 96.323 ± 0.002°
• γ: 102.954 ± 0.002°
• Cell volume: 1511.54 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No