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. 2015 Apr 30;71(Pt 5):564–566. doi: 10.1107/S2056989015008105
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.049 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.102 w = 1/[σ2(Fo2) + (0.0428P)2 + 0.1372P] where P = (Fo2 + 2Fc2)/3
S = 1.01 (Δ/σ)max = 0.001
5881 reflections Δρmax = 0.24 e Å3
472 parameters Δρmin = −0.33 e Å3
36 restraints