Information card for entry 4313490

Structure parameters

• Formula: C17 H7 Cu F12 N3 O4
• Calculated formula: C17 H7 Cu F12 N3 O4
• Title of publication: Structural and Magnetic Behavior of the Kinked Chain Cu(hfac)2(tan) and Its Relevance to Cu(NO3)2(tan) (hfac = Hexafluoroacetylacetonate; tan = 1,4,5-Triazanaphthalene)
• Authors of publication: Jamie L. Manson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2602 - 2605
• a: 8.3308 ± 0.0004 Å
• b: 14.8945 ± 0.0007 Å
• c: 18.3046 ± 0.001 Å
• α: 90°
• β: 99.298 ± 0.002°
• γ: 90°
• Cell volume: 2241.45 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No