Information card for entry 4107237

Structure parameters

• Formula: C14 H32 Cu N2 Na O4
• Calculated formula: C14 H32 Cu N2 Na O4
• SMILES: [Cu](OC(C)(C)C)OC(C)(C)C.[Na+].N(C=O)(C)C.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: 6.202 ± 0.002 Å
• b: 19.855 ± 0.008 Å
• c: 16.646 ± 0.007 Å
• α: 90°
• β: 95.483 ± 0.014°
• γ: 90°
• Cell volume: 2040.4 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No