Information card for entry 4116723

Structure parameters

• Chemical name: tetrahydrofurantris(N-tert-butyl-3,5-dimethyl-anilido)uranium(III)
• Formula: C40 H62 N3 O U
• Calculated formula: C40 H62 N3 O U
• SMILES: [U]([O]1CCCC1)(N(c1cc(cc(c1)C)C)C(C)(C)C)(N(c1cc(cc(c1)C)C)C(C)(C)C)N(c1cc(cc(c1)C)C)C(C)(C)C
• Title of publication: Heterodinuclear Uranium/Molybdenum Dinitrogen Complexes
• Authors of publication: Aaron L. Odom; Polly L. Arnold; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 5836 - 5837
• a: 13.614 ± 0.009 Å
• b: 18.081 ± 0.006 Å
• c: 16.437 ± 0.009 Å
• α: 90°
• β: 91.58 ± 0.03°
• γ: 90°
• Cell volume: 4045 ± 4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1571
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections: 0.1655
• Weighted residual factors for significantly intense reflections: 0.1164
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No