Information card for entry 7123750

Structure parameters

• Chemical name: P2PCoBrCO
• Formula: C41.47 H53 Br Co O0.96 P3
• Calculated formula: C41.465 H53 Br Co O0.965 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: 10.9453 ± 0.0006 Å
• b: 14.9644 ± 0.0008 Å
• c: 23.9133 ± 0.0015 Å
• α: 90°
• β: 101.797 ± 0.003°
• γ: 90°
• Cell volume: 3834 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No