Information card for entry 4323227

Structure parameters

• Formula: C37 H34 Cu F3 N6 O7 S
• Calculated formula: C37 H34 Cu F3 N6 O7 S
• SMILES: [Cu]12([n]3c(C(OC)(c4nc(OC)ccc4)c4[n]1cccc4)cccc3)[n]1c(C(OC)(c3nc(OC)ccc3)c3[n]2cccc3)cccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis and Characterization of a Family of Systematically Varied Tris(2-pyridyl)methoxymethane Ligands: Copper(I) and Copper(II) Complexes
• Authors of publication: Robert T. Jonas; T. D. P. Stack
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6615 - 6629
• a: 20.2781 Å
• b: 15.1741 Å
• c: 24.2629 Å
• α: 90°
• β: 98°
• γ: 90°
• Cell volume: 7393.08 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 2.75
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No