Information card for entry 1549297

Structure parameters

• Common name: Cp"2U(III)Alanate
• Chemical name: Cp"2U(III)Alanate
• Formula: C36 H72 Al Si3 U
• Calculated formula: C36 H72 Al Si3 U
• SMILES: [U]12345678([cH]9[cH]1[c]2(C(C)(C)C)[cH]3[c]49C(C)(C)C)[cH]1[c]5([cH]6[c]7([cH]18)C(C)(C)C)C(C)(C)C.[Si](C([Si](C)(C)C)([Si](C)(C)C)[AlH3])(C)(C)C
• Title of publication: Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.
• Authors of publication: Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 18
• Pages of publication: 4317 - 4324
• a: 10.4534 ± 0.0005 Å
• b: 12.854 ± 0.0006 Å
• c: 17.8476 ± 0.0008 Å
• α: 72.09 ± 0.002°
• β: 79.893 ± 0.002°
• γ: 66.898 ± 0.002°
• Cell volume: 2094.82 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0204
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No