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. 2016 Aug 31;72(Pt 9):1353–1355. doi: 10.1107/S2056989016013645
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.079 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.207 w = 1/[σ2(Fo2) + (0.0797P)2 + 7.0703P] where P = (Fo2 + 2Fc2)/3
S = 1.07 (Δ/σ)max < 0.001
3138 reflections Δρmax = 0.28 e Å3
333 parameters Δρmin = −0.31 e Å3