Information card for entry 1545584

Structure parameters

• Common name: CoCoOPh
• Chemical name: CoCoOPh
• Formula: C27 H29 Co2 N7 O
• Calculated formula: C27 H29 Co2 N7 O
• SMILES: [Co]123([Co]456N(CC[N]4(CCN5c4[n]1cccc4)CCN6c1[n]2cccc1)c1[n]3cccc1)Oc1ccccc1
• Title of publication: Assembly of Dicobalt and Cobalt-Aluminum Oxide Clusters on Metal-Organic Framework and Nanocast Silica Supports
• Authors of publication: Desai, Sai Puneet; Malonzo, Camille; Webber, Thomas; Duan, Jiaxin; Thompson, Anthony B.; Tereniak, Stephen J.; DeStefano, Matthew R.; Buru, Cassandra T.; Li, Zhanyong; Penn, R. Lee; Farha, Omar; Hupp, J. T.; Stein, Andreas; Lu, Connie
• Journal of publication: Faraday Discuss.
• Year of publication: 2017
• a: 10.717 ± 0.002 Å
• b: 15.289 ± 0.003 Å
• c: 15.415 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2525.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No