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. 2011 Apr 7;67(Pt 5):m525. doi: 10.1107/S1600536811007641
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)] = 0.070 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.133 H-atom parameters constrained
S = 1.46 w = 1/[σ2(Fo2) + (0.P)2 + 11.1281P] where P = (Fo2 + 2Fc2)/3
5833 reflections (Δ/σ)max = 0.001
433 parameters Δρmax = 0.92 e Å3
28 restraints Δρmin = −1.14 e Å3