Information card for entry 4323232

Structure parameters

• Formula: C45 H48 Cu F6 N6 O15 S2
• Calculated formula: C45 H48 Cu F6 N6 O15 S2
• SMILES: [Cu]1234([O](C(c5nc(OC)ccc5)(c5[n]3c(OC)ccc5)c3[n]4c(OC)ccc3)C)[n]3c(C(OC)(c4[n]1c(OC)ccc4)c1[n]2c(OC)ccc1)cccc3OC.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O=C(C)C
• 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: 14.949 ± 0.007 Å
• b: 20.54 ± 0.01 Å
• c: 16.461 ± 0.007 Å
• α: 90.01 ± 0.05°
• β: 96.02 ± 0.04°
• γ: 90.12 ± 0.05°
• Cell volume: 5027 ± 4 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: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 3.53
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No