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. 2015 Oct 7;71(Pt 11):1290–1295. doi: 10.1107/S2056989015018435
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.045 Hydrogen site location: mixed
wR(F2) = 0.127 H atoms treated by a mixture of independent and constrained refinement
S = 1.04 w = 1/[σ2(Fo2) + (0.0817P)2 + 0.3767P] where P = (Fo2 + 2Fc2)/3
6941 reflections (Δ/σ)max = 0.001
335 parameters Δρmax = 0.39 e Å3
0 restraints Δρmin = −0.37 e Å3