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. 2009 May 23;65(Pt 6):o1381. doi: 10.1107/S1600536809018923
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.066 H-atom parameters constrained
wR(F2) = 0.178 w = 1/[σ2(Fo2) + (0.08P)2 + 0.4P] where P = (Fo2 + 2Fc2)/3
S = 1.00 (Δ/σ)max < 0.001
2367 reflections Δρmax = 0.33 e Å3
175 parameters Δρmin = −0.44 e Å3
Primary atom site location: structure-invariant direct methods