Information card for entry 4338933

Structure parameters

• Formula: C33 H22 Cu2 F24 N3 O10
• Calculated formula: C33 H22 Cu2 F24 N3 O10
• 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: 15.405 ± 0.003 Å
• b: 21.21 ± 0.004 Å
• c: 15.444 ± 0.003 Å
• α: 90°
• β: 112.63 ± 0.03°
• γ: 90°
• Cell volume: 4657.7 ± 1.9 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: 0.1442
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.2681
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No