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. 2015 Jun 3;71(Pt 7):o438–o439. doi: 10.1107/S2056989015010221
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) = 0.141 w = 1/[σ2(Fo2) + (0.0473P)2 + 0.8936P] where P = (Fo2 + 2Fc2)/3
S = 1.07 (Δ/σ)max < 0.001
3449 reflections Δρmax = 0.33 e Å3
196 parameters Δρmin = −0.58 e Å3