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. 2017 Sep 8;73(Pt 10):1421–1425. doi: 10.1107/S2056989017012543
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)] = 0.067 Hydrogen site location: mixed
wR(F2) = 0.196 H atoms treated by a mixture of independent and constrained refinement
S = 1.02 w = 1/[σ2(Fo2) + (0.1331P)2] where P = (Fo2 + 2Fc2)/3
4545 reflections (Δ/σ)max < 0.001
273 parameters Δρmax = 1.80 e Å3
9 restraints Δρmin = −0.93 e Å3