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. 2008 Apr 16;64(Pt 5):o840. doi: 10.1107/S1600536808009318
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: inferred from neighbouring sites
wR(F2) = 0.187 H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.15P)2 + 0.0584P] where P = (Fo2 + 2Fc2)/3
1322 reflections (Δ/σ)max < 0.001
127 parameters Δρmax = 0.50 e Å3
0 restraints Δρmin = −0.24 e Å3