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. 2017 Jul 13;73(Pt 8):1162–1166. doi: 10.1107/S2056989017010179
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.053 H-atom parameters constrained
wR(F2) = 0.120 w = 1/[σ2(Fo2) + (0.0424P)2 + 1.244P] where P = (Fo2 + 2Fc2)/3
S = 1.14 (Δ/σ)max = 0.001
9827 reflections Δρmax = 0.55 e Å3
555 parameters Δρmin = −0.81 e Å3