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. 2012 Nov 10;68(Pt 12):o3311–o3312. doi: 10.1107/S160053681204559X
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.038 H-atom parameters constrained
wR(F2) = 0.100 Method = Modified Sheldrick w = 1/[σ2(F2) + (0.06P)2 + 1.04P], where P = (max(Fo2,0) + 2Fc2)/3
S = 0.99 (Δ/σ)max = 0.002
3891 reflections Δρmax = 0.26 e Å3
271 parameters Δρmin = −0.25 e Å3
0 restraints