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. 2015 Feb 18;71(Pt 3):275–277. doi: 10.1107/S2056989015001747
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.048 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.098 w = 1/[σ2(Fo2) + (0.0448P)2 + 0.1501P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max < 0.001
7739 reflections Δρmax = 0.21 e Å3
511 parameters Δρmin = −0.19 e Å3