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. 2016 Jun 17;72(Pt 7):969–971. doi: 10.1107/S2056989016009075
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)] = 0.051 Hydrogen site location: mixed
wR(F2) = 0.134 H atoms treated by a mixture of independent and constrained refinement
S = 1.07 w = 1/[σ2(Fo2) + (0.0582P)2 + 0.1493P] where P = (Fo2 + 2Fc2)/3
3113 reflections (Δ/σ)max < 0.001
215 parameters Δρmax = 0.26 e Å3
0 restraints Δρmin = −0.25 e Å3