Information card for entry 1550214

Structure parameters

• Common name: holma07
• Chemical name: bis(diketiminate-cobalt(II))(mu-oxo)
• Formula: C70 H106 Co2 N4 O
• Calculated formula: C70 H106 Co2 N4 O
• Title of publication: Reduction of CO2 by a masked two-coordinate cobalt(i) complex and characterization of a proposed oxodicobalt(ii) intermediate
• Authors of publication: Roy, Lisa; Al-Afyouni, Malik H.; DeRosha, Daniel E.; Mondal, Bhaskar; DiMucci, Ida M.; Lancaster, Kyle M.; Shearer, Jason; Bill, Eckhard; Brennessel, William W.; Neese, Frank; Ye, Shengfa; Holland, Patrick L.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 13.4757 ± 0.0015 Å
• b: 21.712 ± 0.002 Å
• c: 25.061 ± 0.003 Å
• α: 95.195 ± 0.003°
• β: 102.214 ± 0.002°
• γ: 97.097 ± 0.003°
• Cell volume: 7059.9 ± 1.3 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.1348
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No