Information card for entry 4325835

Structure parameters

• Common name: [Cu(2,5-Mes2py)2]OTf
• Formula: C47 H50 Cu F3 N2 O3 S
• Calculated formula: C47 H50 Cu F3 N2 O3 S
• SMILES: [Cu](OS(=O)(=O)C(F)(F)F)([n]1cc(ccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[n]1cc(ccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Coordination Properties of 2,5-Dimesitylpyridine: An Encumbering and Versatile Ligand for Transition-Metal Chemistry
• Authors of publication: Julia M. Stauber; Andrew L. Wadler; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7309 - 7316
• a: 39.15 ± 0.02 Å
• b: 11.714 ± 0.006 Å
• c: 18.342 ± 0.01 Å
• α: 90°
• β: 94.148 ± 0.013°
• γ: 90°
• Cell volume: 8390 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No