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. 2013 Sep 12;69(Pt 10):o1531–o1532. doi: 10.1107/S1600536813024598
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.053 H-atom parameters constrained
wR(F2) = 0.147 w = 1/[σ2(Fo2) + (0.061P)2 + 0.4578P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max = 0.001
3295 reflections Δρmax = 0.29 e Å3
221 parameters Δρmin = −0.25 e Å3
0 restraints