Information card for entry 1549298

Structure parameters

• Common name: Cp"2Th(IV)AlanateHydride
• Chemical name: Cp"2Th(IV)AlanateHydride
• Formula: C36 H73 Al Si3 Th
• Calculated formula: C36 H73 Al Si3 Th
• SMILES: C([AlH]1[H][ThH]23456789([cH]%10[c]3([cH]4[cH]5[c]6%10C(C)(C)C)C(C)(C)C)([cH]3[cH]7[c]8([cH]9[c]23C(C)(C)C)C(C)(C)C)[H]1)([Si](C)(C)C)([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: 18.541 ± 0.016 Å
• b: 12.528 ± 0.01 Å
• c: 18.971 ± 0.016 Å
• α: 90°
• β: 105.644 ± 0.009°
• γ: 90°
• Cell volume: 4243 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0844
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No