Information card for entry 4085358

Structure parameters

• Formula: C38 H54 N3 Si2 U
• Calculated formula: C38 H54 N3 Si2 U
• SMILES: c12ccc(C(C)(C)c3cccc(c3)C(C)(C)c3ccc4C(C)(C)c5cc(ccc5)C1(C)C)n2[U](n34)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Uranium(III) Coordination Chemistry and Oxidation in a Flexible Small-Cavity Macrocycle
• Authors of publication: Arnold, Polly L.; Farnaby, Joy H.; Gardiner, Michael G.; Love, Jason B.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2114
• a: 12.993 ± 0.005 Å
• b: 13.296 ± 0.005 Å
• c: 24.124 ± 0.005 Å
• α: 90°
• β: 122.539 ± 0.012°
• γ: 90°
• Cell volume: 3513 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No