Information card for entry 4122212

Structure parameters

• Formula: C32 H40 B N2 U
• Calculated formula: C32 H40 B N2 U
• SMILES: c12ccc3C(C)(C)[c]45[cH]6[cH]7[cH]8[c]9%10[cH]4[U]4%11%12%13%14%15%165678%10([c]5([cH]4[cH]%15[cH]%11[c]%12([cH]%135)C1(C)C)C(c1ccc(C9(C)C)n%141)(C)C)(n23)[H][BH2][H]%16
• Title of publication: New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2].
• Authors of publication: Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 29
• Pages of publication: 10218 - 10221
• a: 10.186 ± 0.005 Å
• b: 11.735 ± 0.005 Å
• c: 13.03 ± 0.005 Å
• α: 79.413 ± 0.005°
• β: 72.025 ± 0.005°
• γ: 75.355 ± 0.005°
• Cell volume: 1423.9 ± 1.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0341
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No