Information card for entry 7716380

Structure parameters

• Formula: C26 H28 Co N3 O2
• Calculated formula: C26 H28 Co N3 O2
• Title of publication: "Catch and release" of the Cp^N3 ligand using cobalt: dissociation, protonation, and C-H bond thermochemistry.
• Authors of publication: Luhach, Sanju; Lalancette, Roger A.; Prokopchuk, Demyan E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 47
• Pages of publication: 18865 - 18872
• a: 11.4083 ± 0.0003 Å
• b: 11.9826 ± 0.0002 Å
• c: 17.9543 ± 0.0003 Å
• α: 92.141 ± 0.002°
• β: 96.367 ± 0.002°
• γ: 104.23 ± 0.002°
• Cell volume: 2359.06 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0352
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No