Information card for entry 4323233

Structure parameters

• Formula: C22 H29 Cu F6 N3 O14 S2
• Calculated formula: C22 H27 Cu F6 N3 O14 S2
• SMILES: [Cu]12([O](C(c3nc(OC)ccc3)(c3[n]1c(OC)ccc3)c1[n]2c(OC)ccc1)C)([OH2])([OH2])[OH2].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O
• 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: 9.266 ± 0.001 Å
• b: 13.205 ± 0.002 Å
• c: 14.563 ± 0.001 Å
• α: 107.06 ± 0.008°
• β: 97.336 ± 0.006°
• γ: 108.075 ± 0.008°
• Cell volume: 1571.8 ± 0.3 ų
• Cell temperature: 203.2 K
• Ambient diffraction temperature: 203.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 2.6
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No