Zeitschrift für Kristallographie - New Crystal Structures (Dec 2022)
An I62− ${\mathrm{I}}_{6}^{2-}$ anion in the crystal structure of theophyllinium triiodide monohydrate, C7H11I3N4O3
Abstract
C7H11I3N4O3, triclinic, P1‾ $P\overline{1}$ (no. 2), a = 9.28478(14) Å, b = 12.2214(2) Å, c = 13.4088(2) Å, α = 76.2062(14)°, β = 88.2421(13)°, γ = 89.4102(13)°, Z = 4, V = 1476.95(4) Å3, Rgt(F) = 0.0198, wR ref = 0.0494, T = 100 K.
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