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. 2018 Nov 9;74(Pt 12):1735–1740. doi: 10.1107/S2056989018015578
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) = 0.122 w = 1/[σ2(Fo2) + (0.055P)2 + 0.4405P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max < 0.001
3027 reflections Δρmax = 0.31 e Å3
214 parameters Δρmin = −0.26 e Å3
8 restraints