Information card for entry 7115314

Structure parameters

• Formula: C4.5 H5 B0.5 N3 Pu0.17
• Calculated formula: C4.5 H5 B0.5 N3 Pu0.166667
• Title of publication: A plutonium-ased single-molecule magnet
• Authors of publication: N. Magnani; E. Colineau; J.-C. Griveau; C. Apostolidis; O. Walter; R. Caciuffo
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8171
• a: 11.7036 ± 0.0005 Å
• b: 11.7036 ± 0.0005 Å
• c: 13.5561 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1608.07 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0178
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections included in the refinement: 0.0318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No