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. 2016 Jan 13;72(Pt 2):164–169. doi: 10.1107/S2056989016000062
Refinement on F2 138 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.054 H-atom parameters constrained
wR(F2) = 0.155 w = 1/[σ2(Fo2) + (0.0732P)2 + 3.5911P] where P = (Fo2 + 2Fc2)/3
S = 1.02 (Δ/σ)max = 0.001
15805 reflections Δρmax = 1.17 e Å3
965 parameters Δρmin = −0.86 e Å3