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10.1039/d4cc90297a
Chemistry
Correction: Thorium amidates function as single-source molecular precursors for thorium dioxide
Straub Mark D. ab
Ouellette Erik T. ab
Boreen Michael A. ab
Branson Jacob A. ab
Ditter Alex b
Kilcoyne A. L. David b
Lohrey Trevor D. ab
Marcus Matthew A. b
Paley Maria a
Ramirez José a
Shuh David K. b
Minasian Stefan G. b
Arnold John ab
a University of California, Berkeley Berkeley CA 94720 USA arnold@berkeley.edu

b Lawrence Berkeley National Laboratory Berkeley CA 94720 USA sgminasian@lbl.gov

6 9 2024
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6 9 2024
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21 8 2024
21 8 2024
This journal is © The Royal Society of Chemistry
2024
The Royal Society of Chemistry
https://creativecommons.org/licenses/by/3.0/ This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.
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.

Lawrence Berkeley National Laboratory 10.13039/100006235 DE-AC02-05CH11231 U.S. Department of Energy 10.13039/100000015 DE-AC02-05CH11231 National Institutes of Health 10.13039/100000002 S10-RR027172 S10OD024998 National Nuclear Security Administration 10.13039/100006168 Unassigned pubstatusPaginated Article
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pmcThe 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.

Selected atomic distances (Å) and angles (°) for Th(ITA)4

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)	

Crystallographic details and refinement metrics for Th(ITA)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.	11 511	
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	

The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
