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. 2014 Jun 7;70(Pt 7):o752–o753. doi: 10.1107/S1600536814012562
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.048 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.134 w = 1/[σ2(Fo2) + (0.0796P)2 + 0.1341P] where P = (Fo2 + 2Fc2)/3
S = 1.05 (Δ/σ)max < 0.001
2168 reflections Δρmax = 0.31 e Å3
176 parameters Δρmin = −0.29 e Å3
0 restraints