Extended Data Table 1 Natural population analysis. Natural atomic populations [n(s), etc.] of the SOMO arising from Ln = La or Lu for compounds 2–4 (see Supplementary Information Section 5 for further details)

From: A 9.2-GHz clock transition in a Lu(II) molecular spin qubit arising from a 3,467-MHz hyperfine interaction

Compound

n(s)

n(p)

n(d)

n(f)

[Lu(OAr*)3]– 4

0.346

0.039

0.483

0.003

[Lu(N*)3]– 3

0.276

0.074

0.531

0.002

[La(OAr*)3]– 2

0.265

0.018

0.544

0.002

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