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. 2017 May 26;73(Pt 6):896–900. doi: 10.1107/S2056989017007460
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)] = 0.049 H-atom parameters constrained
wR(F2) = 0.136 w = 1/[σ2(Fo2) + (0.0557P)2 + 0.2808P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max < 0.001
3165 reflections Δρmax = 0.20 e Å3
156 parameters Δρmin = −0.16 e Å3
0 restraints