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Figure 1
Maps calculated in the molecular plane and in the two perpendicular planes bis­ecting the C—S—C angles containing the S-atom lone pairs (inset figures) of IDT (theoretical model): (a) residual electron density at the resolution range 0 ≤ (sin θ/λ) ≤ 0.9 Å−1, (b) static deformation density Δρ(r) and (c) L(r) = −∇2ρ(r). Contours for maps (a) and (b) are at the ±0.05 e Å−3 level: full lines in blue are positive, dotted lines in red are negative. Contours for (c) in e Å−5 are on a logarithmic scale: red lines are positive and blue lines are negative.

IUCrJ
Volume 12| Part 3| May 2025|
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525001447