Information card for entry 7123752

Structure parameters

• Chemical name: P2PCoCOH
• Formula: C31 H42 Co O P3
• Calculated formula: C31 H42 Co O 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: 9.4357 ± 0.0004 Å
• b: 9.6576 ± 0.0006 Å
• c: 17.4658 ± 0.0008 Å
• α: 102.756 ± 0.003°
• β: 98.244 ± 0.002°
• γ: 103.517 ± 0.003°
• Cell volume: 1477.06 ± 0.13 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: 0.0231
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No