Information card for entry 4323224

Structure parameters

• Formula: C37 H32 Cu F3 N3 O5 P S
• Calculated formula: C37 H32 Cu F3 N3 O5 P S
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3c(C(OC)(c4[n]1cccc4)c1[n]2cccc1)cccc3OC.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: 10.422 ± 0.002 Å
• b: 11.86 ± 0.002 Å
• c: 15.877 ± 0.003 Å
• α: 73.44 ± 0.01°
• β: 81.32 ± 0.01°
• γ: 69.14 ± 0.01°
• Cell volume: 1755.1 ± 0.6 ų
• Cell temperature: 203.2 K
• Ambient diffraction temperature: 203.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 2.32
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No