Information card for entry 1550215

Structure parameters

• Common name: holma06
• Chemical name: bis(diketiminate-cobalt(II))(mu-carbonato)
• Formula: C71 H106 Co2 N4 O3
• Calculated formula: C71 H106 Co2 N4 O3
• 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: 20.919 ± 0.002 Å
• b: 28.234 ± 0.003 Å
• c: 24.42 ± 0.003 Å
• α: 90°
• β: 114.237 ± 0.002°
• γ: 90°
• Cell volume: 13152 ± 2 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No