Information card for entry 7112026

Structure parameters

• Formula: C23 H23 F18 Gd N O8
• Calculated formula: C23 H23 F18 Gd N O8
• Title of publication: Preparation and characterization of [Gd(hfac)3(DTBN)(H2O)] (DTBN = di-t-butyl nitroxide). Ferromagnetic Gd3±Gd3+ super-superexchange
• Authors of publication: Takuya Kanetomo; Takayuki Ishida
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2529
• a: 9.662 ± 0.0018 Å
• b: 17.014 ± 0.004 Å
• c: 22.052 ± 0.005 Å
• α: 107.668 ± 0.008°
• β: 101.607 ± 0.008°
• γ: 101.768 ± 0.008°
• Cell volume: 3244.2 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No