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Figure 2
Charge and spin density maps in the plane containing Cu, O1 and N5. (a) Static deformation density map obtained by means of the joint refinement strategy. Isocontours are drawn for ± 0.01 × 2n e Å−3 with n = 0–13 (positive red, negative blue). (b) Spin density map obtained by means of the joint refinement strategy. Isocontours are drawn for ± 0.01 × 2n μB Å−3 with n = 0–13, spin up contours in red, spin down contours in blue.

IUCrJ
Volume 1| Part 3| April 2014| Pages 194-199
ISSN: 2052-2525
doi:10.1107/S2052252514007283