Information card for entry 4343119

Structure parameters

• Formula: C42 H34 Cr2 Dy2 F36 N2 O18
• Calculated formula: C42 H34 Cr2 Dy2 F36 N2 O18
• Title of publication: Heterometallic 3d-4f single-molecule magnets: ligand and metal ion influences on the magnetic relaxation.
• Authors of publication: Langley, Stuart K.; Le, Crystal; Ungur, Liviu; Moubaraki, Boujemaa; Abrahams, Brendan F.; Chibotaru, Liviu F.; Murray, Keith S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3631 - 3642
• a: 17.6229 ± 0.0009 Å
• b: 18.9489 ± 0.0009 Å
• c: 19.4315 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6488.8 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No