Information card for entry 4323231

Structure parameters

• Formula: C40 H36 Cu F6 N6 O12 S2
• Calculated formula: C78 H72 Cu0.5 F6 N12 O18 S2
• 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: 10.027 ± 0.002 Å
• b: 10.948 ± 0.001 Å
• c: 11.541 ± 0.001 Å
• α: 72.799 ± 0.009°
• β: 74.45 ± 0.01°
• γ: 86.11 ± 0.01°
• Cell volume: 1165.9 ± 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: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 6.44
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No