Information card for entry 1549296

Structure parameters

• Common name: Cp"2Th(IV)AlanateChloride
• Chemical name: Cp"2Th(IV)AlanateChloride
• Formula: C36 H72 Al Cl Si3 Th
• Calculated formula: C36 H72 Al Cl Si3 Th
• SMILES: C([Si](C)(C)C)([AlH]1[H][Th]23456789([c]%10(C(C)(C)C)[cH]2[cH]3[c]4([cH]5%10)C(C)(C)C)([c]2(C(C)(C)C)[cH]6[cH]7[c]8([cH]92)C(C)(C)C)(Cl)[H]1)([Si](C)(C)C)[Si](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: 14.6013 ± 0.001 Å
• b: 16.3421 ± 0.001 Å
• c: 18.0401 ± 0.0011 Å
• α: 90°
• β: 93.323 ± 0.003°
• γ: 90°
• Cell volume: 4297.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.029
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No