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. 2015 Jan 1;71(Pt 1):35–37. doi: 10.1107/S2056989014026358
Refinement on F2 1 restraint
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.039 H-atom parameters constrained
wR(F2) = 0.094 w = 1/[σ2(Fo2) + (0.0407P)2 + 4.1058P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max < 0.001
3350 reflections Δρmax = 0.18 e Å3
217 parameters Δρmin = −0.16 e Å3