Information card for entry 4116725

Structure parameters

• Chemical name: tris(N-tert-butyl-3,5-dimethylanilido)uranium-m-dinitrogen -tris(N-adamantyl-3,5-dimethyl-anilido)molybdenum
• Formula: C100 H150 Mo N8 U
• Calculated formula: C100 H150 Mo N8 U
• SMILES: [U](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)N=N[Mo](N(c1cc(cc(c1)C)C)C12CC3CC(C1)CC(C2)C3)(N(c1cc(cc(c1)C)C)C12CC3CC(C1)CC(C2)C3)N(c1cc(cc(c1)C)C)C12CC3CC(C1)CC(C2)C3.C(CCC)C.CCCCC
• 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: 15.0111 ± 0.0003 Å
• b: 18.5595 ± 0.0002 Å
• c: 20.2429 ± 0.0004 Å
• α: 112.704 ± 0.001°
• β: 97.412 ± 0.001°
• γ: 109.373 ± 0.001°
• Cell volume: 4689.1 ± 0.16 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections: 0.2255
• Weighted residual factors for significantly intense reflections: 0.2203
• Goodness-of-fit parameter for all reflections: 1.416
• Goodness-of-fit parameter for significantly intense reflections: 1.416
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No