Information card for entry 4102494

Structure parameters

• Formula: C18 H24 B3 N12 U
• Calculated formula: C18 H24 B3 N12 U
• SMILES: [U]123([n]4n([BH2]n5[n]3ccc5)ccc4)([n]3n(ccc3)[BH2]n3[n]2ccc3)[n]2n(ccc2)[BH2]n2[n]1ccc2
• Title of publication: Observation of a Secondary Slow Relaxation Process for the Field-Induced Single-Molecule Magnet U(H2BPz2)3
• Authors of publication: Jeffrey D. Rinehart; Katie R. Meihaus; Jeffrey R. Long
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7572 - 7573
• a: 18.504 ± 0.005 Å
• b: 15.432 ± 0.005 Å
• c: 18.133 ± 0.005 Å
• α: 90 ± 0.005°
• β: 98.356 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5123 ± 3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No