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. 2007 Dec 18;64(Pt 1):o304. doi: 10.1107/S1600536807066561
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)] = 0.042 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.131   w = 1/[σ2(Fo2) + (0.022P)2 + 0.3733P] where P = (Fo2 + 2Fc2)/3
S = 1.19 (Δ/σ)max < 0.001
1139 reflections Δρmax = 0.22 e Å3
93 parameters Δρmin = −0.22 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none