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Correction: Thorium amidates function as single-source molecular precursors for thorium dioxide
Mark D.
Straub
ab,
Erik T.
Ouellette
ab,
Michael A.
Boreen
ab,
Jacob A.
Branson
ab,
Alex
Ditter
b,
A. L. David
Kilcoyne
b,
Trevor D.
Lohrey
ab,
Matthew A.
Marcus
b,
Maria
Paley
a,
José
Ramirez
a,
David K.
Shuh
b,
Stefan G.
Minasian
*b and
John
Arnold
*ab
aUniversity of California, Berkeley, Berkeley, CA 94720, USA. E-mail: arnold@berkeley.edu
bLawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. E-mail: sgminasian@lbl.gov
First published on 6th September 2024
Abstract
Correction for ‘Thorium amidates function as single-source molecular precursors for thorium dioxide’ by Mark D. Straub et al., Chem. Commun., 2021, 57, 4954–4957, https://doi.org/10.1039/D1CC00867F.
The single crystal X-ray crystallographic data for Th(ITA)4 (ITA = N-tert-butylisobutyramidate) has been reanalysed using a P21/n unit cell. The structure of Th(ITA)4 displayed full-molecule disorder when solved in the space group C2/m, as originally reported. However, revisiting the same single crystal X-ray crystallographic data showed a weaker P21/n supercell containing an ordered arrangement of the ligands. The supercell was overlooked previously due to the strength of the heavy atoms in the crystal. The revised X-ray crystal structure of Th(ITA)4 is shown in Fig. 1, with associated bond metrics and crystallographic data given in Tables 1 and 2. This change to the model of the X-ray structural data does not impact any other aspects of the data or conclusions reported previously.
 | ||
| Fig. 1 X-ray crystal structure of 1 with 50% probability ellipsoids. Hydrogen atoms and structural disorder are omitted for clarity. | ||
| Th1–O1 | 2.361(3) | C3–O3 | 1.305(6) |
| Th1–O2 | 2.416(3) | C4–O4 | 1.308(5) |
| Th1–O3 | 2.424(3) | C1–N1 | 1.299(5) |
| Th1–O4 | 2.356(3) | C2–N2 | 1.309(7) |
| Th1–N1 | 2.565(4) | C3–N3 | 1.310(7) |
| Th1–N2 | 2.557(5) | C4–N4 | 1.312(6) |
| Th1–N3 | 2.557(5) | O1–C1–N1 | 115.9(4) |
| Th1–N4 | 2.536(4) | O2–C2–N2 | 116.0(5) |
| C1–O1 | 1.312(5) | O3–C3–N3 | 116.7(5) |
| C2–O2 | 1.306(6) | O4–C4–N4 | 115.6(4) |
| Chemical formula | C32H64N4O4Th |
| Formula weight | 800.91 |
| Color, habit | Colorless, block |
| Crystal system | Monoclinic |
| Space group | P21/n |
| a (Å) | 8.8073(4) |
| b (Å) | 24.7927(11) |
| c (Å) | 17.2472(7) |
| α (°) | 90 |
| β (°) | 94.9595(16) |
| γ (°) | 90 |
| V (Å3) | 3751.9(3) |
| Z | 4 |
| Density (g cm−3) | 1.418 |
| F(000) | 1624.0 |
| Radiation type | Synchrotron |
| Radiation wavelength | (λ = 0.7288 Å) |
| μ (mm−1) | 4.275 |
| Crystal size (mm) | 0.18 × 0.10 × 0.09 |
| Meas. refl. | 11![[thin space (1/6-em)]](https://www.rsc.org/images/entities/char_2009.gif) 511 |
| Indep. refl. | 6998 |
| Obsvd. [I > 2σ(I)] refl. | 6998 |
| R int | 0.0422 |
| Final [I ≥ 2σ(I)] R indices | R 1 = 0.0313 |
| wR2 = 0.0660 | |
| Goodness-of-fit | 1.047 |
| CCDC | 2377153 |
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