Information card for entry 4338934

Structure parameters

• Formula: C24 H22 Cu F12 N3 O6
• Calculated formula: C24 H22 Cu F12 N3 O6
• Title of publication: New spin-transition-like copper(II)-nitroxide species.
• Authors of publication: Hirel, Catherine; Li, Licun; Brough, Peter; Vostrikova, Kira; Pécaut, Jacques; Mehdaoui, Boubker; Bernard, Maxime; Turek, Philippe; Rey, Paul
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7545 - 7552
• a: 15.797 ± 0.002 Å
• b: 12.5865 ± 0.0019 Å
• c: 15.829 ± 0.002 Å
• α: 90°
• β: 105.516 ± 0.003°
• γ: 90°
• Cell volume: 3032.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1601
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No