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. 2016 Apr 15;72(Pt 5):687–691. doi: 10.1107/S2056989016005843
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: inferred from neighbouring sites
wR(F2) = 0.118 H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.056P)2 + 0.5327P] where P = (Fo2 + 2Fc2)/3
3077 reflections (Δ/σ)max < 0.001
229 parameters Δρmax = 0.16 e Å3
0 restraints Δρmin = −0.13 e Å3