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. 2009 Jul 29;65(Pt 8):m1001. doi: 10.1107/S1600536809029559
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)] = 0.061 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.202 H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0646P)2 + 7.3064P] where P = (Fo2 + 2Fc2)/3
5914 reflections (Δ/σ)max = 0.001
434 parameters Δρmax = 0.93 e Å3
1 restraint Δρmin = −0.36 e Å3