Information card for entry 7043051

Structure parameters

• Chemical name: Cu(CO3)(1-methylimidazole)3
• Formula: C13 H18 Cu N6 O3
• Calculated formula: C13 H18 Cu N6 O3
• SMILES: [Cu]1(OC(=O)O1)([n]1cn(cc1)C)([n]1cn(cc1)C)[n]1cn(cc1)C
• Title of publication: Metal Carbonate Complexes Formed Through the Capture of Ambient O2 and CO2 by Elemental Metals in 1-methylimidazole: Molecular Cu(CO3)(MeIm)3 and Polymeric M(CO3)(MeIm)2·2H2O (M = Co, Zn)
• Authors of publication: Vaid, Thomas; Kelley, Steven Paul; Rogers, Robin D.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.232 ± 0.004 Å
• b: 8.981 ± 0.003 Å
• c: 13.232 ± 0.004 Å
• α: 90°
• β: 93.292 ± 0.004°
• γ: 90°
• Cell volume: 1569.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0318
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No