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Figure 2
Simulated ESP maps for the Mg-J1 site using atomic models. (a)–(d) The model contains either Mg(II) or the [Mg(II)(H2O)4]2+ complex ion, Na(I) or H2O, and maps are contoured at three levels as indicated. The Fourier terms were limited to 2.5 Å and the mean atomic B factor of 41.25 Å2 was used.

IUCrJ
Volume 5| Part 4| July 2018| Pages 375-381
ISSN: 2052-2525
https://doi.org/10.1107/S2052252518006292