Information card for entry 4129667

Structure parameters

• Formula: C114 H90 N9 O0.4 P6 Ru
• Calculated formula: C114 H90 N9 O0.4 P6 Ru
• Title of publication: Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible "On" and "Off" Exchange Bias Behavior.
• Authors of publication: Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 45
• Pages of publication: 14406 - 14422
• a: 23.839 ± 0.003 Å
• b: 20.368 ± 0.002 Å
• c: 19.348 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9394.5 ± 1.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No