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. 2015 Apr 22;71(Pt 5):523–527. doi: 10.1107/S2056989015006994
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.032 H-atom parameters constrained
wR(F2) = 0.089 w = 1/[σ2(Fo2) + (0.0502P)2 + 1.0258P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max = 0.001
3297 reflections Δρmax = 0.32 e Å3
217 parameters Δρmin = −0.39 e Å3
0 restraints