Information card for entry 4002684

Structure parameters

• Common name: (py3tren)AlCoMe
• Chemical name: (py3tren)AlCoMe
• Formula: C28 H33 Al Co N7
• Calculated formula: C28 H33 Al Co N7
• SMILES: [Al]1234[Co]56([n]7c(cccc7)N4CC[N]1(CCN2c1cccc[n]61)CCN3c1cccc[n]51)C.c1ccccc1
• Title of publication: Installing Heterobimetallic Cobalt‒Aluminum Single Sites on a Metal Organic Framework Support
• Authors of publication: Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; Gallington, Leighanne C.; Malonzo, Camille D.; Webber, Thomas; Tereniak, Stephen J.; Wang, Timothy C.; Desai, Sai Puneet; Li, Zhanyong; Kim, In Soo; Gagliardi, Laura; Penn, R. Lee; Chapman, Karena W.; Stein, Andreas; Farha, Omar K.; Hupp, Joseph T.; Martinson, Alex B. F.; Lu, Connie C.
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 6753
• a: 9.3796 ± 0.0015 Å
• b: 10.578 ± 0.0017 Å
• c: 14.373 ± 0.002 Å
• α: 78.924 ± 0.002°
• β: 72.613 ± 0.002°
• γ: 81.559 ± 0.002°
• Cell volume: 1329.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0595
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No