Information card for entry 4307475

Structure parameters

• Chemical name: [4-(2-pyridyl)-1,2,4,5-dithiadiazolyl]-bis(hexafluoroacetylacetonate) copper(II)
• Formula: C16 H6 Cu F12 N3 O4 S2
• Calculated formula: C16 H6 Cu F12 N3 O4 S2
• Title of publication: Mn(II) and Cu(II) Complexes of a Dithiadiazolyl Radical Ligand: Monomer/Dimer Equilibria in Solution
• Authors of publication: James Britten; Nigel G. R. Hearns; Kathryn E. Preuss; John F. Richardson; Sofi Bin-Salamon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3934 - 3945
• a: 9.3999 ± 0.0019 Å
• b: 30.749 ± 0.006 Å
• c: 15.537 ± 0.003 Å
• α: 90°
• β: 97.975 ± 0.004°
• γ: 90°
• Cell volume: 4447.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.1625
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No