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. 2018 Aug 24;74(Pt 9):1344–1357. doi: 10.1107/S2056989018011544
Refinement on F2 Secondary atom site location: difference Fourier map
R[F > 3σ(F)] = 0.023 Hydrogen site location: difference Fourier map
wR(F) = 0.053 H atoms treated by a mixture of independent and constrained refinement
S = 1.34 Weighting scheme based on measured s.u.'s w = 1/(σ2(I) + 0.0004I2)
4602 reflections (Δ/σ)max = 0.025
356 parameters Δρmax = 0.44 e Å3
0 restraints Δρmin = −0.30 e Å3
48 constraints Absolute structure: 1800 of Friedel pairs used in the refinement
Primary atom site location: structure-invariant direct methods Absolute structure parameter: 0.004 (17)