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. 2015 Sep 26;71(Pt 10):1230–1235. doi: 10.1107/S2056989015017181
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)] = 0.060 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.138 H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0515P)2 + 2.9321P] where P = (Fo2 + 2Fc2)/3
3961 reflections (Δ/σ)max < 0.001
220 parameters Δρmax = 0.82 e Å3
0 restraints Δρmin = −0.80 e Å3