Information card for entry 4107236

Structure parameters

• Formula: C11 H25 Cu K N O3
• Calculated formula: C11 H25 Cu K N O3
• SMILES: [Cu](OC(C)(C)C)OC(C)(C)C.[K+].N(C=O)(C)C
• Title of publication: Direct Cupration of Fluoroform
• Authors of publication: Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 20901 - 20913
• a: 10.1264 ± 0.0016 Å
• b: 6.333 ± 0.001 Å
• c: 25.079 ± 0.004 Å
• α: 90°
• β: 96.011 ± 0.007°
• γ: 90°
• Cell volume: 1599.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No