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. 2009 Apr 10;65(Pt 5):o1023–o1024. doi: 10.1107/S1600536809012811
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)] = 0.065 Hydrogen site location: mixed
wR(F2) = 0.203 H atoms treated by a mixture of independent and constrained refinement
S = 1.09 w = 1/[σ2(Fo2) + (0.12P)2 + 0.3033P] where P = (Fo2 + 2Fc2)/3
4745 reflections (Δ/σ)max < 0.001
300 parameters Δρmax = 1.01 e Å3
4 restraints Δρmin = −0.58 e Å3